MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003689

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
QNC	2-CARBONYLQUINOLINE	A,B	1MTB	0.75
QNC	2-CARBONYLQUINOLINE	A,B	2FGV	0.75
QNC	2-CARBONYLQUINOLINE	I	1IVQ	0.75
QNC	2-CARBONYLQUINOLINE	A,B	2FGU	0.75
QNC	2-CARBONYLQUINOLINE	A	1JLD	0.75
QNC	2-CARBONYLQUINOLINE	A,B	1HXB	0.75
205	2-(2,6-DICHLOROPHENYL)-1,3-BENZOXAZOLE- 6-CARBOXYLIC ACID	A,B	2F8I	0.72
DK1	5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID	A,B	1PBQ	0.86
MR6	2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE	A,B	2QGE	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
669	1-(5-CARBOXYPENTYL)-5-(2,6-DICHLOROBENZYLOXY)- 1H-INDOLE-2-CARBOXYLIC ACID	A	1MZS	0.7
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.73
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.73
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.71
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLN	0.73
6PC	PYRIDINE-2-CARBOXYLIC ACID	A	2OLO	0.73
MR4	4-(1,3-BENZOXAZOL-2-YL)-2,6-DIMETHYLPHENOL	A,B	2QGC	0.73
HQA	3-(8-hydroxyquinolin-3-yl)-L-alanine	A,B	3FCA	0.82
BRF		A	1UUO	0.78
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
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PC2	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B,C,D	1ARZ	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PE7	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A	2PES	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1C3V	0.79
PDC	PYRIDINE-2,6-DICARBOXYLIC ACID	A,B	1P9L	0.79
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0S	0.72
TTQ	6-AMINO-7-HYDROXY-L-TRYPTOPHAN	D,H	2HXC	0.72
1TQ	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN	D,H	2OK6	0.7
1TQ	6-(FORMYLAMINO)-7-HYDROXY-L-TRYPTOPHAN	D,H	2I0R	0.7
PMC	3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1I43	0.72
PXG	3-[O-PHOSPHONOPYRIDOXYL]--AMINO- BENZOIC ACID	A	1B9I	0.74
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGF	0.7
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGG	0.7
HQU	3-HYDROXYQUINALDIC ACID	C,D	193D	0.95
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G19	0.77
4HG	N-[(4-HYDROXY-8-IODOISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2G1M	0.77
DPY		A,B	1JES	0.71
HRP	5-HYDROXY-L-TRYPTOPHAN	B	1YIA	0.71
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
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B,C	2W2I	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A	2GKL	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2VD7	0.73
PD2	PYRIDINE-2,4-DICARBOXYLIC ACID	A,B	2JIG	0.73
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
MMB	(2R,3E)-2-{4-[(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)METHOXY]BENZYL}- 3-(PROPOXYIMINO)BUTANOIC ACID	A,C	2NPA	0.71
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.76
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.7
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C	1KQG	0.78
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,D,E,F	2VR0	0.78
HQO	2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE	A,B,C,M,N,O,P	1KF6	0.78
0AF	7-hydroxy-L-tryptophan	L	1MAE	0.73
0AF	7-hydroxy-L-tryptophan	L	1MAF	0.73
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBT	0.78
UN9	N-[(1-CHLORO-4-HYDROXYISOQUINOLIN- 3-YL)CARBONYL]GLYCINE	A	2HBU	0.78
3HM	5-hydroxy-6-methylpyridine-3-carboxylic acid	A,B	3GMC	0.74
HQC	3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID	A	1RWP	0.76
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	C,D,E	1NU1	0.78
QNO	2-NONYL-4-HYDROXYQUINOLINE N-OXIDE	A,B,C,D,G	2E75	0.78
338	2-(5-HYDROXY-NAPHTHALEN-1-YL)-1,3- BENZOOXAZOL-6-OL	A,B	1U3R	0.7
QND	QUINALDIC ACID	A,B	1IDA	0.91
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.71
BRE	2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID	A	1D3G	0.78
772	2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE	A	1O4H	0.79
MR5	4-(1,3-BENZOXAZOL-2-YL)-2,6-DIBROMOPHENOL	A,B	2QGD	0.7
NTM	QUINOLINIC ACID	A	3C2O	0.72
NTM	QUINOLINIC ACID	A,B	1QAP	0.72
NTM	QUINOLINIC ACID	A,B,C,D,E,F	1QPQ	0.72
NTM	QUINOLINIC ACID	A,B,C	2B7N	0.72
9HP	9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE	A	1PMU	0.71
238		A	2PRH	0.74