MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01535178

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
DPS	3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID	A	1CAQ	0.75
DPS	3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL- PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- PROPIONIC ACID	A	1CIZ	0.75
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.78
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.71
PDS	3-{1-[3-(DIMETHYLAMINO)PROPYL]- 2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL- 1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE	A,B	2I0E	0.7
H01	PROTOPORPHYRIN IX 2,4-DISULFONIC ACID	A	2Q2N	0.71
H01	PROTOPORPHYRIN IX 2,4-DISULFONIC ACID	A	2Q2O	0.71
UP3		A	3D8N	0.72
DTR	D-TRYPTOPHAN	A,B,C,D	2R3C	0.78
DTR	D-TRYPTOPHAN	A	1XY8	0.78
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5D	0.78
DTR	D-TRYPTOPHAN	A	2V7K	0.78
DTR	D-TRYPTOPHAN	A,D	1CZQ	0.78
DTR	D-TRYPTOPHAN	A	1DFY	0.78
DTR	D-TRYPTOPHAN	A	1XY5	0.78
DTR	D-TRYPTOPHAN	A	1NXN	0.78
DTR	D-TRYPTOPHAN	A	1TKF	0.78
DTR	D-TRYPTOPHAN	A	1YL9	0.78
DTR	D-TRYPTOPHAN	A	1XXZ	0.78
DTR	D-TRYPTOPHAN	A	1XY4	0.78
DTR	D-TRYPTOPHAN	A,D	2Q3I	0.78
DTR	D-TRYPTOPHAN	A	1QFB	0.78
DTR	D-TRYPTOPHAN	A	1DFZ	0.78
DTR	D-TRYPTOPHAN	A	1XY9	0.78
DTR	D-TRYPTOPHAN	A	1XY6	0.78
DTR	D-TRYPTOPHAN	A	2SOC	0.78
DTR	D-TRYPTOPHAN	A	2JUE	0.78
DTR	D-TRYPTOPHAN	A	1SOC	0.78
DTR	D-TRYPTOPHAN	A	1YL8	0.78
DTR	D-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.78
DTR	D-TRYPTOPHAN	A,B	2Q33	0.78
DTR	D-TRYPTOPHAN	A	1DG0	0.78
DTR	D-TRYPTOPHAN	A,B,C,H,K,L	2R5B	0.78
6MR	N-[(4'-IODOBIPHENYL-4-YL)SULFONYL]- D-TRYPTOPHAN	A,B	2OW0	0.75
PAT	ALPHA-PHOSPHONO-TRYPTOPHAN	A,B	1I73	0.75
ITR	IMINO-TRYPTOPHAN	A,B,C,D,E,F, G,H	1DDO	0.78
NZO	nocodazole	A,B	3EE2	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.73
7CK	7-carboxy-5-hydroxy-12,13-dihydro- 6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole	A,B	2R0G	0.7
KAW	N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan	A	3BKL	0.71
H02	N-METHYL PROTOPORPHYRIN IX 2,4- DISULFONIC ACID	A	2Q3J	0.71
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.77
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.77
SU1	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL- 2-YL)METHYLENE]-2-INDOLINONE	A,B	1FGI	0.74
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.78
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.78
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.78
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.78
IOP	INDOLYLPROPIONIC ACID	A,B	1AHF	0.79
IOP	INDOLYLPROPIONIC ACID	A	2OLI	0.79
IOP	INDOLYLPROPIONIC ACID	A,B	2AY5	0.79
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.73
TPL	TRYPTOPHANOL	A	1EE7	0.7
CRZ	4-(9H-CARBAZOL-9-YL)BUTANOIC ACID	A	1TOW	0.72
CTE	7-CHLOROTRYPTOPHAN	A	2AR8	0.71
CTE	7-CHLOROTRYPTOPHAN	A	2V7L	0.71
IAV	N-[1H-INDOL-3-YL-ACETYL]VALINE ACID	A,B	1K7F	0.72
1CP	COPROPORPHYRIN I	A	1R3S	0.72
1CP	COPROPORPHYRIN I	A	1R3V	0.72
1CP	COPROPORPHYRIN I	A	1R3Q	0.72
4IN	4-AMINO-L-TRYPTOPHAN	A,B	2HXX	0.76
4IN	4-AMINO-L-TRYPTOPHAN	A	1OXF	0.76
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RU9	0.7
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUM	0.7
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUL	0.7
4HT	4-HYDROXYTRYPTOPHAN	H,L	1RUA	0.7
PP9	PROTOPORPHYRIN IX	A	1Z53	0.76
PP9	PROTOPORPHYRIN IX	A,B,C,D	2HRE	0.76
PP9	PROTOPORPHYRIN IX	A,B	2QD5	0.76
PP9	PROTOPORPHYRIN IX	A	1HRS	0.76
PP9	PROTOPORPHYRIN IX	A,B,C,D	2QD1	0.76
BTR	6-BROMO-TRYPTOPHAN	A	1WCT	0.73
MMP	N-METHYLMESOPORPHYRIN	A,B,C,D	3FCT	0.74
MMP	N-METHYLMESOPORPHYRIN	L	1N7M	0.74
MMP	N-METHYLMESOPORPHYRIN	B,H	1NGW	0.74
MMP	N-METHYLMESOPORPHYRIN	A	1C1H	0.74
FT6	6-FLUORO-L-TRYPTOPHAN	A,B	2NW9	0.76
MPE	(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)- ACETIC ACID	A	1M4A	0.76
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
SF1	1-BENZYL-5-CHLORO-3-(PHENYLTHIO)- 1H-INDOLE-2-CARBOXYLIC ACID	A,B	2Q61	0.7
824	9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE	A	1X8B	0.71
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.71
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.79
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K8Z	0.71
IAG	N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID	A,B	1K7E	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	1K83	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L, M,T	2VUM	0.71
TRX	6-HYDROXYTRYPTOPHAN	A,B,C,I,J,L,M	3CQZ	0.71
FTR	FLUOROTRYPTOPHANE	A	2JT8	0.76
FTR	FLUOROTRYPTOPHANE	A,B	1NF0	0.76
FTR	FLUOROTRYPTOPHANE	A	2JTZ	0.76
FTR	FLUOROTRYPTOPHANE	A,B	1I45	0.76
FTR	FLUOROTRYPTOPHANE	A,B	2ZNX	0.76
FTR	FLUOROTRYPTOPHANE	A,B	1NEY	0.76
FTR	FLUOROTRYPTOPHANE	A,B	5FWG	0.76
4FW	4-FLUOROTRYPTOPHANE	A	1RM9	0.76
CP3	COPROPORPHYRIN III	A	1R3T	0.72
CP3	COPROPORPHYRIN III	A	1R3W	0.72
CP3	COPROPORPHYRIN III	A	1R3Y	0.72
CP3	COPROPORPHYRIN III	A	2Q71	0.72
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.72
3IB	3-INDOLEBUTYRIC ACID	A,B	2AY6	0.78
3IB	3-INDOLEBUTYRIC ACID	A,B,C,E	2GJ6	0.78
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.78
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.74
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.74
3IL	3-(INDOL-3-YL) LACTATE	A	2A7P	0.75
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.77
DTE	7-CL-D-TRYPTOPHAN	A	2V7M	0.71
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.74
32T	(S)-2-AMINO-3-(4H-THIENO[3,2-B]- PYRROL-6-YL)-PROPIONIC ACID	A	1RMO	0.8
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.7
PF3	(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID	A,B	1UTZ	0.7
TRF	N1-FORMYL-TRYPTOPHAN	A,B	1VRK	0.73
TRF	N1-FORMYL-TRYPTOPHAN	A,B,C,D	1QS7	0.73