MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00001137

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
3IL	3-(INDOL-3-YL) LACTATE	A	2A7P	0.71
SF1	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q61	0.71
1TQ	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN	D,H	2OK6	0.75
1TQ	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0R	0.75
PAT	ALPHA-PHOSPHONO-TRYPTOPHAN	A,B	1I73	0.73
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.77
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.75
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.75
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.75
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.75
SU1	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE	A,B	1FGI	0.7
IAD	N-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACID	A,B	1K3U	0.72
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RU9	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUM	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUL	0.73
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUA	0.73
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K8Z	0.72
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K7E	0.72
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.76
BTR	6-BROMO-TRYPTOPHAN	A	1WCT	0.7
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.79
FXN	5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID- (2-MERCAPTO-ETHYL)-AMIDE	A,B	1SHL	0.7
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.77
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.72
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.72
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.77
IAV	N-[1H-INDOL-3-YL-ACETYL]VALINE ACID	A,B	1K7F	0.72
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	1K83	0.73
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L, M,T	2VUM	0.73
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	3CQZ	0.73
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.74
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.76
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.76
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.77
7CK	7-carboxy-5-hydroxy-12,13-dihydro- 6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole	A,B	2R0G	0.75
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.71
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.71
ATU	9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5- B]INDOL-6-ONE	A,B	1Q3W	0.72
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.74
DTR	D-TRYPTOPHAN	A	1XY8	0.74
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.74
DTR	D-TRYPTOPHAN	A	2V7K	0.74
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.74
DTR	D-TRYPTOPHAN	A	1DFY	0.74
DTR	D-TRYPTOPHAN	A	1XY5	0.74
DTR	D-TRYPTOPHAN	A	1NXN	0.74
DTR	D-TRYPTOPHAN	A	1TKF	0.74
DTR	D-TRYPTOPHAN	A	1YL9	0.74
DTR	D-TRYPTOPHAN	A	1XXZ	0.74
DTR	D-TRYPTOPHAN	A	1XY4	0.74
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.74
DTR	D-TRYPTOPHAN	A	1QFB	0.74
DTR	D-TRYPTOPHAN	A	1DFZ	0.74
DTR	D-TRYPTOPHAN	A	1XY9	0.74
DTR	D-TRYPTOPHAN	A	1XY6	0.74
DTR	D-TRYPTOPHAN	A	2SOC	0.74
DTR	D-TRYPTOPHAN	A	2JUE	0.74
DTR	D-TRYPTOPHAN	A	1SOC	0.74
DTR	D-TRYPTOPHAN	A	1YL8	0.74
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.74
DTR	D-TRYPTOPHAN	A,B	2Q33	0.74
DTR	D-TRYPTOPHAN	A	1DG0	0.74
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.74
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.72
4FW	4-FLUOROTRYPTOPHANE	A	1RM9	0.73
FTR	FLUOROTRYPTOPHANE	A	2JT8	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1NF0	0.73
FTR	FLUOROTRYPTOPHANE	A	2JTZ	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1I45	0.73
FTR	FLUOROTRYPTOPHANE	A,B	2ZNX	0.73
FTR	FLUOROTRYPTOPHANE	A,B	1NEY	0.73
FTR	FLUOROTRYPTOPHANE	A,B	5FWG	0.73
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.74
NZA	5-CHLORO-1-(4-CHLOROBENZYL)-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q5S	0.71
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.72
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.72
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.77
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.77
824	9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE	A	1X8B	0.71
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.74
DRK	3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)- 1H,2'H-2,3'-biindol-2'-one	A	3F3Z	0.7
DRK	3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)- 1H,2'H-2,3'-biindol-2'-one	A,C	3EB0	0.7
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.73
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.72
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.73
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.73
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.73
POO	3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID	A	2BRL	0.71
FT6	6-FLUORO-L-TRYPTOPHAN	A,B	2NW9	0.73
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.72
MPE	(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)- ACETIC ACID	A	1M4A	0.75
N1H		H	2F9B	0.73
KAW	N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan	A	3BKL	0.74
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.75
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.79
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.79
QND	QUINALDIC ACID	A,B	1IDA	0.77
6CW	6-CHLORO-L-TRYPTOPHAN	B	2GV2	0.7
6CW	6-CHLORO-L-TRYPTOPHAN	A,B	2AXI	0.7
6CW	6-CHLORO-L-TRYPTOPHAN	A,L,M	3FEA	0.7
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.9
2CC	3,4-bis(7-chloro-1H-indol-3-yl)- 1H-pyrrole-2,5-dicarboxylic acid	A	3A1L	0.73
IOK	N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE	A,B	2IOK	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.74
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.74
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.74
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.82
0AF	7-hydroxy-L-tryptophan	L	1MAE	0.72
0AF	7-hydroxy-L-tryptophan	L	1MAF	0.72
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.83
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0S	0.76
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2HXC	0.76