CRYSTAL STRUCTURE OF FXA IN COMPLEX WITH 125.
PDB id Source Resolution
1LPK 2.2 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
CBB Valid Ki =  28.0 nM More atoms than expected were found for ligand in PDB. % Diff = 2.0  launch gocavviewer-lite   433.546
C25 H31 N5 O2
 [H]/N=C(C1CC=CC(=C1)Cn2c3ccccc3cc2C(=O)OCC4CCCC(C4)C(=N)N)/N

DESIGN AND QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF 3-AMIDINOBENZYL-1H-INDOLE-2-CARBOXAMIDES AS POTENT, NONCHIRAL, AND SELECTIVE INHIBITORS OF BLOOD COAGULATION FACTOR XA J.MED.CHEM. V. 45 2749 2002

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90% Homology Family

The Class containing this family consists of a total of 5 families.
Leader:    2VH6
STRUCTURE AND PROPERTY BASED DESIGN OF FACTOR
XA INHIBITORS: PYRROLIDIN-2-ONES WITH BIARYL P4 MOTIFS
PDB id Binding data Representative ligand
2VH6 Ki = 0.2 nM GSV
1EZQ Ki = 0.9 nM RPR
1F0R Ki = 22.0 nM 815
1F0S Ki = 18.0 nM PR2
1KSN Ki = 0.4 nM FXV
1LPG Ki = 82.0 nM IMA
1LPK Ki = 28.0 nM CBB
1LPZ Ki = 25.0 nM CMB
1NFW Ki = 1.1 nM RRR
1NFX Ki = 3.0 nM RDR
1NFY Ki = 1.3 nM RTR
2BOH Ki = 3.0 nM IIA
2CJI Ki = 6.0 nM GSK
2J2U Ki = 90.0 nM GSQ
2J34 Ki = 15.0 nM GS6
2J38 Ki = 47.0 nM GS5
2J4I Ki = 1.0 nM GSJ
2J94 Ki = 534.0 nM G15
2J95 Ki = 4.0 nM GSX
2UWL Ki = 4.0 nM 895
2UWO Ki = 2.0 nM 701
2UWP Ki = 154.0 nM 894
2VH0 Ki < 1.0 nM GSI
2WYG Ki = 2.0 nM 461
2WYJ Ki = 1.0 nM 898
2Y7X Ki = 1.0 nM MZA
2Y7Z Ki = 2.0 nM C0Z
2Y80 Ki = 9.0 nM 439
2Y81 Ki = 2.0 nM 931
2Y82 Ki = 4.0 nM 930