CARBONIC ANHYDRASE ACTIVATORS. ACTIVATION OF ISOZYMES I, II, IV, VA, VII AND XIV WITH L- AND D-HISTIDINE AND C RYSTALLOGRAPHIC ANALYSIS OF THEIR ADDUCTS WITH ISOFORM II : ENGINEERING PROTON TRANSFER PROCESSES WITHIN THE ACT IVE SI
PDB id Source Resolution
2EZ7 2.0 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Weight
(Da)		 Formula SMILES
DHI Valid Kd =  43.5 uM   launch gocavviewer-lite   156.162
C6 H10 N3 O2
 c1c([nH+]c[nH]1)C[C@H](C(=O)O)N

CARBONIC ANHYDRASE ACTIVATORS. ACTIVATION OF ISOZYMES I, II, IV, VA, VII, AND XIV WITH L- AND D-HISTIDINE AND CRYSTALLOGRAPHIC ANALYSIS OF THEIR ADDUCTS WITH ISOFORM II: ENGINEERING PROTON-TRANSFER PROCESSES WITHIN THE ACTIVE SITE OF AN ENZYME. CHEMI

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90% Homology Family

The Class containing this family consists of a total of 10 families.
Leader:    1IF7
CARBONIC ANHYDRASE II COMPLEXED WITH (R)-N-(3
-INDOL-1-YL-2- METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
PDB id Binding data Representative ligand
1IF7 Kd = 30.0 pM SBR
1AM6 ic50 = 47.0 uM HAE
1AVN Kd = 0.125 mM HSM
1BCD Kd = 2.0 nM FMS
1BN1 Kd = 0.46 nM AL5
1BN3 Kd = 0.13 nM AL6
1BN4 Kd = 0.49 nM AL9
1BNN Kd = 0.1 nM AL1
1BNQ Kd = 0.32 nM AL4
1BNT Kd = 0.16 nM AL2
1BNU Kd = 0.2 nM AL3
1BNV Kd = 1.7 nM AL7
1BNW Kd = 0.83 nM TPD
1CIL Ki = 0.372 nM ETS
1CIM Ki = 1.52 nM PTS
1CIN Ki = 1.88 nM MTS
1CNW Kd = 19.0 nM EG1
1CNX Kd = 43.0 nM EG2
1CNY Kd = 14.0 nM EG3
1CRA   TRI
1EOU ic50 = 36.0 nM SMS
1G0E   4MZ
1G1D Kd = 0.36 nM FSB
1G45 Kd = 2.3 nM FSB
1G46 Kd = 1.6 nM F2B
1G48 Kd = 3.9 nM F6B
1G4J Kd = 2.0 nM FFB
1G4O Kd = 5.6 nM BSB
1G52 Kd = 0.29 nM F2B
1G53 Kd = 0.91 nM F6B
1G54 Kd = 1.5 nM FFB
1I8Z ic50 = 1.27 nM INL
1I90 ic50 = 1.28 nM INM
1I91 ic50 = 1.15 nM INQ
1I9L Kd = 3.3 nM INV
1I9M Kd = 3.3 nM INW
1I9N Kd = 2.2 nM IOA
1I9O Kd = 3.8 nM IOC
1I9P Kd = 3.9 nM IOE
1I9Q Kd = 3.9 nM IOF
1IF4   FBS
1IF5   FBT
1IF6   FBU
1IF8 Kd = 230.0 pM SBS
1IF9   SBB
1KWR ic50 = 0.25 uM SG2
1LUG   SUA
1MOO   4MZ
1OKL Kd = 0.93 uM MNS
1OKM   SAB
1OKN Kd = 2.3 nM STB
1OQ5 ic50 = 21.0 nM CEL
1TTM Kd ~ 45.0 nM 667
1XPZ Kd = 84.0 nM 4TZ
1XQ0 Kd = 454.0 nM 4TR
1YDA Kd = 280.0 nM AZM
1YDB Kd = 5.8 nM AZM
1YDD Kd = 86.0 nM AZM
1ZE8 Ki = 21.0 nM PIU
1ZSB Kd = 250.0 mM AZM
2ABE Ki = 113.0 uM HIS
2AW1 Ki = 43.0 nM COX
2EU2   5DS
2EU3   FF3
2EZ7 Kd = 43.5 uM DHI
2F14 Ki = 45.0 nM FL1
2FMG   PHE
2FMZ Ki = 35.0 nM DPN
2FNN Ki = 200.0 mM 4MZ
2FOQ Kd = 235.0 nM B15
2FOS Kd = 27.0 nM B17
2FOU Kd = 80.0 nM B22
2FOV Kd = 28.0 nM B30
2GD8 ic50 = 379.0 nM PO1
2GEH Ki = 28.0 uM NHY
2H15 Ki = 2135.0 nM B19
2H4N Ki = 2.0 nM AZM
2HD6 Ki = 16.0 nM BOS
2HKK Ka = 96.0 M^-1 ALE
2HL4 Ki = 23.0 nM BO1
2HNC Ki = 60.0 nM 1SA
2HOC Ki = 0.3 nM 1CN
2NNG Kd = 4.4 uM ZYX
2NNO Kd = 0.4 uM M28
2NNS Kd = 0.9 uM M25
2NNV Kd = 0.03 uM M29
2O4Z Ki = 566.0 nM HSW
2OSF ic50 ~ 148.0 uM TH0
2OSM ic50 = 1.05 uM HTS
2POU Ki = 38.0 nM I7A
2POV Ki = 75.0 nM I7B
2POW Ki = 63.0 nM I7C
2Q1B Ki = 5950.0 nM LSA
2Q1Q Ki = 7.0 nM OSP
2Q38 Ki = 5950.0 nM LSA
2QO8 Ki = 3.4 nM 3CC
2QOA Ki = 52.0 nM MAJ
2QP6 Ki = 58.9 nM MB1
2WD2   MS5
2WD3 ic50 = 86.0 nM MS4
2WEG Kd = 314.0 nM FBV
2WEH Kd = 1125.0 nM FB1
2WEJ Kd = 839.0 nM FB2
2WEO Kd = 118.0 nM FBW
2X7S Ki = 1660.0 nM WZC
2X7T Ki = 232.0 nM WZB
2X7U Ki = 5340.0 nM WZA
3B4F Ki = 7.2 nM TUO
3BET ic50 = 1.5 uM CTF
3BL0 Ki = 121.0 nM BL0
3BL1 Ki = 2520.0 nM BL1
3C7P ic50 = 0.1 nM POF
3CA2   AMS
3CAJ Ki = 8.0 nM EZL
3CYU Kd = 60.0 nM 1CR
3D8W Ki = 7.0 nM D8W
3D9Z Ki = 2.0 nM D9Z
3DAZ Ki = 11.8 nM MZM
3DBU Ki = 8.8 nM D8W
3DC3 Ki = 4.9 nM AZM
3DCC Ki = 1.1 nM D9Z
3DCS Ki = 11.4 nM MZM
3DCW Ki < 1.0 nM EZL
3DD0 Ki < 1.0 nM EZL
3DD8 Ki = 14.0 nM 2C7
3EFI   TRP
3EFT Ki = 12.0 nM 3BS
3F4X Ki = 138.0 nM KLT
3F8E Ki = 59.0 nM TE1
3FFP Ki = 72.5 nM LC1
3HKN Ki = 4.51 uM MFS
3HS4 Ki = 10.0 nM AZM
3IBI Ki = 2.6 nM BOW
3IBL Ki = 14.6 nM O59
3IBN Ki = 24.5 nM O60
3IBU Ki = 0.7 nM O48
3IEO Ki = 331.0 nM AMJ
3IGP ic50 = 94.5 nM DT7
3K2F Ki = 63.0 nM NKX
3K34   SUA
3K7K Kd ~ 8.86 nM KCS
3KIG ic50 = 245.0 nM DA4
3M1K Ki = 4.1 uM BEW
3M3X Kd = 0.15 uM JS7
3M40 Kd = 0.17 uM J45
3M5E Kd = 0.043 uM JDR
3M67 Kd = 0.18 uM E36
3M96 Kd = 0.06 uM E38
3MHC Ki = 11.0 nM ARZ
3MHI Kd = 0.2 uM J90
3MHL Kd = 0.056 uM J71
3MHM Kd = 0.1 uM J75
3MHO Kd = 0.32 uM J43
3ML2 Ki = 9.1 nM SU0
3MMF Ki = 37.0 nM D9H
3MNA Ki = 41.0 nM DWH
3MNU Ki = 48.0 nM BON
3MYQ Kd = 0.03 uM E27
3MZC Ki = 226.0 nM S6I
3N0N Ki = 50.0 nM P9B
3N2P Ki = 15.0 nM AYX
3N3J Ki = 3.3 nM WWV
3N4B Ki = 96.0 nM WWZ
3NB5 Ki = 18.0 nM R21
3NI5 Ki = 28.0 nM C1H
3OY0 Ki = 10.1 nM OY0
3OYQ Ki = 10.3 nM OYQ
3OYS Ki = 9.0 nM OYS
3P4V Ki = 8.0 uM PMX
3PO6   DT9
3R16 Ki = 50.0 nM 5UN
3R17 Ki = 390.0 nM 5UM
3RYJ Kd = 16.0 nM RYJ
3RYV Kd = 86.0 nM RYV
3RYX Kd = 7.3 nM RYX
3RYY Kd = 38.0 nM RYY
3RYZ Kd = 2.4 nM RYZ
3RZ0 Kd = 28.0 nM RZ0
3RZ1 Kd = 1.8 nM RZ1
3RZ5 Kd = 13.0 nM RZ5
3RZ7 Kd = 1.1 nM RZ7
3RZ8 Kd = 6.7 nM RZ8
3T82 Ki = 307.0 nM SG4
3T83 Ki = 105.0 nM MG5
3T84 Ki = 106.0 nM SG6
3T85 Ki = 11.3 nM SG7