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Receptor
PDB id Resolution Class Description Source Keywords
5BVT 2.31 Å NON-ENZYME: BINDING PALMITATE-BOUND PFABP5 PYGOSCELIS PAPUA FATTY ACID-BINDING PROTEIN BETA-BARREL PROTEIN GENTOO PENG(PYGOSCELIS PAPUA) LIPID BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE LIGAND-BINDING SPECIFICITY ACID-BINDING PROTEINS (PFABP4 AND PFABP5) IN GENTOO BIOCHEM.BIOPHYS.RES.COMMUN. V. 465 12 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PAM A:201;
Valid;
none;
submit data
254.408 C16 H30 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5BVT 2.31 Å NON-ENZYME: BINDING PALMITATE-BOUND PFABP5 PYGOSCELIS PAPUA FATTY ACID-BINDING PROTEIN BETA-BARREL PROTEIN GENTOO PENG(PYGOSCELIS PAPUA) LIPID BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR THE LIGAND-BINDING SPECIFICITY ACID-BINDING PROTEINS (PFABP4 AND PFABP5) IN GENTOO BIOCHEM.BIOPHYS.RES.COMMUN. V. 465 12 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
70% Homology Family (60)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
22 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
23 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
24 5Y0F Ki = 0.21 uM 8JO C18 H14 F N O5 S COc1ccc(c2....
25 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
26 5Y12 Ki = 0.59 uM 8JX C16 H19 N O5 S COc1ccc(c2....
27 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
28 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
29 5Y0X Ki = 7.75 uM 8JR C18 H14 F N O5 S COc1ccc(c2....
30 5Y0G Ki = 0.2 uM 8JL C18 H14 F N O5 S COc1ccc(c2....
31 5Y13 Ki = 1.16 uM 8K0 C15 H16 Br N O4 S c1ccc2c(c1....
32 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
33 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
34 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
35 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
36 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
37 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
38 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
39 4WBK - STE C18 H36 O2 CCCCCCCCCC....
40 3WVM - STE C18 H36 O2 CCCCCCCCCC....
41 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
42 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
43 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
44 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
45 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
46 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
47 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
48 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
49 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
50 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
51 6EW4 - PLM C16 H32 O2 CCCCCCCCCC....
52 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
53 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
54 6EW2 - PLM C16 H32 O2 CCCCCCCCCC....
55 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
56 6EW5 - PLM C16 H32 O2 CCCCCCCCCC....
57 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
58 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
59 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
60 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (113)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 5L8O - CHD C24 H40 O5 C[C@H](CCC....
22 5L8N Kd = 31 uM 6RQ C9 H11 N3 Cc1cc2c(cc....
23 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
24 5HZ5 Ki = 0.086 uM 65X C21 H19 Cl N6 c1ccc(cc1)....
25 5UR9 Ki = 0.9 uM 8KS C28 H22 O4 c1ccc(cc1)....
26 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
27 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
28 5Y0F Ki = 0.21 uM 8JO C18 H14 F N O5 S COc1ccc(c2....
29 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
30 5Y12 Ki = 0.59 uM 8JX C16 H19 N O5 S COc1ccc(c2....
31 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
32 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
33 5Y0X Ki = 7.75 uM 8JR C18 H14 F N O5 S COc1ccc(c2....
34 5Y0G Ki = 0.2 uM 8JL C18 H14 F N O5 S COc1ccc(c2....
35 5Y13 Ki = 1.16 uM 8K0 C15 H16 Br N O4 S c1ccc2c(c1....
36 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
37 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
38 2G78 - REA C20 H28 O2 CC1=C(C(CC....
39 2CBS Ki = 6 nM R13 C23 H30 O2 CC(=C/C(=O....
40 1CBS - REA C20 H28 O2 CC1=C(C(CC....
41 2FR3 Kd = 2 nM REA C20 H28 O2 CC1=C(C(CC....
42 3CWK Kd = 250 nM REA C20 H28 O2 CC1=C(C(CC....
43 3CBS Ki = 58 nM R12 C20 H24 O3 Cc1cc(c(c(....
44 2G79 Kd = 120 nM RET C20 H28 O CC1=C(C(CC....
45 2G7B - AZE C20 H30 CC=C(/C)C=....
46 1CBQ - RE9 C20 H28 O2 CC(=C/C(=O....
47 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
48 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
49 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
50 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
51 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
52 4WBK - STE C18 H36 O2 CCCCCCCCCC....
53 3WVM - STE C18 H36 O2 CCCCCCCCCC....
54 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
55 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
56 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
57 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
58 3VG3 - PLM C16 H32 O2 CCCCCCCCCC....
59 3B2H - PLM C16 H32 O2 CCCCCCCCCC....
60 3B2K - PLM C16 H32 O2 CCCCCCCCCC....
61 3VG6 - PLM C16 H32 O2 CCCCCCCCCC....
62 3VG5 - PLM C16 H32 O2 CCCCCCCCCC....
63 3VG7 - PLM C16 H32 O2 CCCCCCCCCC....
64 3STM - PLM C16 H32 O2 CCCCCCCCCC....
65 3VG2 - PLM C16 H32 O2 CCCCCCCCCC....
66 3B2I - PLM C16 H32 O2 CCCCCCCCCC....
67 3B2L - PLM C16 H32 O2 CCCCCCCCCC....
68 3B2J - PLM C16 H32 O2 CCCCCCCCCC....
69 3VG4 - PLM C16 H32 O2 CCCCCCCCCC....
70 1OPB Kd = 50 nM RET C20 H28 O CC1=C(C(CC....
71 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
72 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
73 2QO4 - CHD C24 H40 O5 C[C@H](CCC....
74 2QO6 - CHD C24 H40 O5 C[C@H](CCC....
75 2QO5 - CHD C24 H40 O5 C[C@H](CCC....
76 1TW4 - CHD C24 H40 O5 C[C@H](CCC....
77 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
78 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
79 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
80 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
81 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
82 5LJG - PLM C16 H32 O2 CCCCCCCCCC....
83 5LJC Kd = 65 nM RTL C20 H30 O CC1=C(C(CC....
84 5HBS Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
85 5H8T Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
86 5LJE Kd = 250 nM RTL C20 H30 O CC1=C(C(CC....
87 5LJD Kd = 70 nM RTL C20 H30 O CC1=C(C(CC....
88 5LJB Kd = 4.5 nM RTL C20 H30 O CC1=C(C(CC....
89 1CRB - RTL C20 H30 O CC1=C(C(CC....
90 5HA1 Kd = 64.1 nM RNE C20 H31 N CC1=C(C(CC....
91 4QZU Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
92 4QYN Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
93 2RCT - RTL C20 H30 O CC1=C(C(CC....
94 4QZT Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
95 1VYF Kd = 9 nM OLA C18 H34 O2 CCCCCCCCC=....
96 1VYG Kd = 10 nM ACD C20 H32 O2 CCCCCC=C/C....
97 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
98 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
99 1ICM - MYR C14 H28 O2 CCCCCCCCCC....
100 1ICN - OLA C18 H34 O2 CCCCCCCCC=....
101 2IFB Ki = 3.6 uM PLM C16 H32 O2 CCCCCCCCCC....
102 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
103 6EW4 - PLM C16 H32 O2 CCCCCCCCCC....
104 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
105 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
106 6EW2 - PLM C16 H32 O2 CCCCCCCCCC....
107 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
108 6EW5 - PLM C16 H32 O2 CCCCCCCCCC....
109 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
110 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
111 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
112 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
113 1KQW - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PAM; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 VCA 1 1
2 PAM 1 1
3 ELA 0.939394 1
4 OLA 0.939394 1
5 NER 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 ODD 0.675 0.956522
9 X90 0.666667 0.954545
10 TDA 0.666667 0.954545
11 STE 0.666667 0.954545
12 EW8 0.666667 0.954545
13 F15 0.666667 0.954545
14 MYR 0.666667 0.954545
15 F23 0.666667 0.954545
16 DCR 0.666667 0.954545
17 11A 0.666667 0.954545
18 DAO 0.666667 0.954545
19 KNA 0.666667 0.954545
20 PLM 0.666667 0.954545
21 DKA 0.666667 0.954545
22 OCA 0.636364 0.954545
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.564103 0.84
27 ODT 0.555556 0.826087
28 T25 0.54717 0.709677
29 AZ1 0.53125 0.615385
30 10X 0.529412 0.645161
31 6NA 0.529412 0.863636
32 10Y 0.529412 0.645161
33 3X1 0.525 0.863636
34 243 0.519231 0.846154
35 MVC 0.519231 0.617647
36 VA 0.511111 0.692308
37 OLC 0.490566 0.617647
38 OLB 0.490566 0.617647
39 ACD 0.488889 0.956522
40 EOD 0.468085 0.677419
41 78N 0.444444 0.617647
42 78M 0.444444 0.617647
43 3LA 0.44186 0.769231
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 M12 0.428571 0.833333
48 MPG 0.425926 0.617647
49 9OD 0.422222 0.72
50 14V 0.413043 0.714286
51 BMJ 0.4 0.913043
52 D0G 0.4 0.913043
53 14U 0.4 0.678571
54 BNV 0.4 0.913043
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5BVT; Ligand: PAM; Similar sites found with APoc: 105
This union binding pocket(no: 1) in the query (biounit: 5bvt.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2P7Q GG6 None
2 1UO4 PIH None
3 3AQT RCO None
4 3NJQ NJQ None
5 5N8V KZZ None
6 4G86 BNT None
7 2YLD CMO None
8 4POJ 2VP None
9 4F4S EFO None
10 5JSP DQY None
11 4TV1 36M None
12 1RV1 IMZ None
13 3FAL LO2 None
14 3RV5 DXC None
15 2FCU AKG None
16 3MB3 MB3 None
17 4J25 OGA None
18 2Q1H AS4 2.23881
19 5CX8 TG6 2.23881
20 3M3E GAL A2G NPO 2.98507
21 5APK 76E 2.98507
22 1JGS SAL 2.98507
23 1U3R 338 2.98507
24 1YYE 196 2.98507
25 1YUC EPH 2.98507
26 3B4Y FLC 2.98507
27 4J26 EST 2.98507
28 3KP6 SAL 3.73134
29 6D61 4AA 3.73134
30 4I9B 1KA 3.73134
31 3UUA 0CZ 3.73134
32 1HG4 LPP 3.73134
33 4MG7 27H 3.73134
34 4MG9 27K 3.73134
35 4TUZ 36J 3.73134
36 4MGB XDH 3.73134
37 5DX3 EST 3.73134
38 2ZCQ B65 3.73134
39 1NRL SRL 3.73134
40 1Q7E MET 4.47761
41 3VV1 GAL FUC 4.47761
42 2AG4 LP3 4.47761
43 2AG4 OLA 4.47761
44 4A7W GTP 4.47761
45 2JIG PD2 4.47761
46 4ETZ C2E 4.47761
47 1DTL BEP 4.47761
48 5EO8 TFU 4.47761
49 4WGF HX2 4.47761
50 6ARJ SAH 4.47761
51 2D5X L35 4.47761
52 6FBA D48 4.47761
53 4URG C2E 5.22388
54 1SR7 MOF 5.22388
55 1V7R CIT 5.22388
56 1SQI 869 5.22388
57 3RUU 37G 5.22388
58 6A5Y 9R0 5.22388
59 5ICK FEZ 5.22388
60 5E58 CPZ 5.22388
61 3O01 DXC 5.97015
62 1GJW GLC 5.97015
63 5W7B MYR 5.97015
64 5MWY YNU 5.97015
65 5HCV 60R 5.97015
66 2R40 EPH 5.97015
67 5OSW DIU 6.71642
68 5INJ 6C7 6.71642
69 4P6X HCY 7.46269
70 1L7P SEP 7.46269
71 3ZGJ RMN 7.46269
72 1T0S BML 8.20895
73 2OVD DAO 8.20895
74 1RDT L79 8.20895
75 5Y02 HBX 8.41121
76 5N26 CPT 8.95522
77 4Y9J UCC 8.95522
78 2PFY PCA 8.95522
79 4WVO 3UZ 9.70149
80 3I4X DST 9.70149
81 2ZFZ ARG 10.1266
82 4O4Z N2O 10.4478
83 4E2J MOF 11.194
84 3RY9 1CA 11.194
85 3GN8 DEX 11.194
86 4WUP 3UF 11.194
87 3QUZ QUV 11.9403
88 3SCM LGN 11.9403
89 3NB0 G6P 12.6866
90 4JH6 FCN 13.4328
91 4R29 SAM 13.4328
92 1QIN GIP 13.4328
93 1ZED PNP 13.4328
94 4OGQ 7PH 14.1791
95 5C1M OLC 14.9254
96 2BO4 FLC 15.6716
97 3PUR 2HG 15.6716
98 4TQ3 GPP 16.4179
99 5TPV TYD 18.6567
100 6GNO XDI 21.6418
101 5B09 4MX 22.1154
102 4GFD 0YB 23.8806
103 1YOK P6L 28.3582
104 5XNA SHV 30.597
105 1LFO OLA 34.375
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