MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02190483

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
772	2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE	A	1O4H	0.74
709	N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE	A	1ZSJ	0.71
NHR	2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN- 6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}- PENTANEDIOIC ACID	A,B	1C3E	0.7
MMB	(2R,3E)-2-{4-[(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)METHOXY]BENZYL}- 3-(PROPOXYIMINO)BUTANOIC ACID	A,C	2NPA	0.7
DSI	4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)- 8-METHYL-3,6,7,8-TETRAHYDRO-3,6- DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER	B	1DSI	0.71
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.89
MR4	4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL	A,B	2QGC	0.74
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	C	2JQ7	0.78
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	B	1OLN	0.78
QUA	8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID	A	1E9W	0.78
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.76
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.76
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.72
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.76
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.76
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.73
338	2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3- BENZOOXAZOL-6-OL	A,B	1U3R	0.71
MR6	2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE	A,B	2QGE	0.73
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYN	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A,B	2QYK	0.71
NPV	4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid	A	2QYL	0.71
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.74
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.79
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.7
041	2-(3-FLUORO-4-HYDROXYPHENYL)-7- VINYL-1,3-BENZOXAZOL-5-OL	A,B	1X7B	0.71
HQC	3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID	A	1RWP	0.73
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.79
826	1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE	A,B	1I30	0.71
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.81
LG2	6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID	A,B,C,D	1H9U	0.71
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.7
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
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.77
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.77
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.75
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.75
7CK	7-carboxy-5-hydroxy-12,13-dihydro- 6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole	A,B	2R0G	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.7
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.7
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.71
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.71
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.71
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.71
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.71
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.71
238		A	2PRH	0.75
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.71
BMS		A,B	1DKF	0.71
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G19	0.76
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G1M	0.76
QND	QUINALDIC ACID	A,B	1IDA	0.86
BRF		A	1UUO	0.79
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.7
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.7
TTG	2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID	A,B	1RRJ	0.71
TTG	2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID	A,C,D	1K4T	0.71
TTG	2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID	A,C	1RR8	0.71
0AF	7-hydroxy-L-tryptophan	L	1MAE	0.72
0AF	7-hydroxy-L-tryptophan	L	1MAF	0.72
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
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0S	0.71
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2HXC	0.71