MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000518

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
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.86
DTE	7-CL-D-TRYPTOPHAN	A	2V7M	0.73
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.72
669	1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID	A	1MZS	0.77
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.72
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.79
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.72
SF2	5-CHLORO-1-(3-METHOXYBENZYL)-3- (PHENYLTHIO)-1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q6R	0.73
205	2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE- 6-CARBOXYLIC ACID	A,B	2F8I	0.73
CP4	BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL- AMINOETHYL]-ETHYLENE GLYCOL	A,B	1EM6	0.76
V25	ethyl 3-[(E)-2-amino-1-cyanoethenyl]- 6,7-dichloro-1-methyl-1H-indole- 2-carboxylate	A	2VAG	0.83
IMN	INDOMETHACIN	A	2BXM	0.73
IMN	INDOMETHACIN	A	3FO7	0.73
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.73
IMN	INDOMETHACIN	A	2BXQ	0.73
IMN	INDOMETHACIN	A,B,C,D	4COX	0.73
IMN	INDOMETHACIN	A	2ALT	0.73
IMN	INDOMETHACIN	A	2OTH	0.73
IMN	INDOMETHACIN	A,B	2DM6	0.73
IMN	INDOMETHACIN	A	1S2A	0.73
IMN	INDOMETHACIN	A	2ZB8	0.73
IMN	INDOMETHACIN	A	3HWZ	0.73
IMN	INDOMETHACIN	A	2BXK	0.73
CHI	5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE	A	1H5U	0.71
CHI	5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE	A	1C50	0.71
CHI	5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1- (4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN- 1YL)-2-OXOETHYL]AMIDE	A	1LWO	0.71
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.71
6CW	6-CHLORO-L-TRYPTOPHAN	B	2GV2	0.73
6CW	6-CHLORO-L-TRYPTOPHAN	A,B	2AXI	0.73
6CW	6-CHLORO-L-TRYPTOPHAN	A,L,M	3FEA	0.73
NZA	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q5S	0.76
2CC	3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid	A	3A1L	0.77
CTE	7-CHLOROTRYPTOPHAN	A	2AR8	0.73
CTE	7-CHLOROTRYPTOPHAN	A	2V7L	0.73
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.81
IM8	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYE	0.72
IMS	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYU	0.72
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.7
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.7
288	5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL- (2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}- AMIDE	A,B	1XOI	0.76
SF1	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q61	0.75
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.73
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.71
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.71
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.71
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L5Q	0.73
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1EXV	0.73
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L5S	0.73
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L7X	0.73
700	[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]- AZETIDINE-3-CARBOXYLIC ACID	A,B	1L5R	0.73
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.71
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.83
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.7
IIE	1-{2-[(4-CHLOROPHENYL)AMINO]-2- OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN- 4-YL)-1H-INDOLE-2-CARBOXAMIDE	B	2BQW	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.71
225	FELODIPINE	A	2NNJ	0.71