MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00846321

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
238		A	2PRH	0.71
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.78
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L5Q	0.71
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1EXV	0.71
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L5S	0.71
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L7X	0.71
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L5R	0.71
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.73
V25	ethyl 3-[(E)-2-amino-1-cyanoethenyl]- 6,7-dichloro-1-methyl-1H-indole- 2-carboxylate	A	2VAG	0.71
IMN	INDOMETHACIN	A	2BXM	0.72
IMN	INDOMETHACIN	A	3FO7	0.72
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.72
IMN	INDOMETHACIN	A	2BXQ	0.72
IMN	INDOMETHACIN	A,B,C,D	4COX	0.72
IMN	INDOMETHACIN	A	2ALT	0.72
IMN	INDOMETHACIN	A	2OTH	0.72
IMN	INDOMETHACIN	A,B	2DM6	0.72
IMN	INDOMETHACIN	A	1S2A	0.72
IMN	INDOMETHACIN	A	2ZB8	0.72
IMN	INDOMETHACIN	A	3HWZ	0.72
IMN	INDOMETHACIN	A	2BXK	0.72
669	1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID	A	1MZS	0.7
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.72
225	FELODIPINE	A	2NNJ	0.73
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.71
LCF	[6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID	A	1ZYX	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.77
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.7
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.7
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.7
CTE	7-CHLOROTRYPTOPHAN	A	2AR8	0.71
CTE	7-CHLOROTRYPTOPHAN	A	2V7L	0.71
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.7
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.71
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.84
NZA	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q5S	0.74
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
2CC	3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid	A	3A1L	0.77
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.7
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.82
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.82
IMS	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYU	0.7
IM8	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYE	0.7
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.72
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.79
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.71
7CK	7-carboxy-5-hydroxy-12,13-dihydro- 6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole	A,B	2R0G	0.71
5Z5	5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO- 3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]- 2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE	A	2JAV	0.71
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,D,F,G,H, J,K,L,N,O,P	2GC4	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,H,L,M	2J55	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2Q7Q	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMZ	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,G,I	2H47	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MG2	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,D,F,H,J,L, N,P	2GC7	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2OJY	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2IUP	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGX	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJ4	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKR	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGZ	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E,F	2H3X	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,D,H	2IUQ	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,G	1JMX	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2HJB	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,C,H,L	2MTA	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,D,H	2OIZ	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	3C75	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH0	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,C	1JJU	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	A,B,L,M	1MDA	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2HKM	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGY	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L,M	2BBK	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	L	2MAD	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AGL	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	B,C,E	2IAA	0.7
TRQ	2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO- 1H-INDOL-3-YL)-PROPIONIC ACID	D,H	2AH1	0.7
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.71
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.77
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.77
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.77
DTE	7-CL-D-TRYPTOPHAN	A	2V7M	0.71
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.74
6CW	6-CHLORO-L-TRYPTOPHAN	B	2GV2	0.72
6CW	6-CHLORO-L-TRYPTOPHAN	A,B	2AXI	0.72
6CW	6-CHLORO-L-TRYPTOPHAN	A,L,M	3FEA	0.72
ARH	3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE	A,B,C,D	1H69	0.72
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2I0T	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,C,D,K,L, M,N	2J57	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK4	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUR	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2AGW	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	A,B,H,L,M	2J56	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2IUV	0.71
TQQ	(S)-2-AMINO-3-(6,7-DIHYDRO-6-IMINO- 7-OXO-1H-INDOL-3-YL)PROPANOIC ACID	D,H	2OK6	0.71
SF1	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q61	0.74