MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00547420

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
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.8
KYN	KYNURENINE	A,B,C,D	2R2N	0.71
KYN	KYNURENINE	A,B	3E2Z	0.71
KYN	KYNURENINE	A	1XT7	0.71
KYN	KYNURENINE	A	1T5M	0.71
KYN	KYNURENINE	A	1T5N	0.71
KYN	KYNURENINE	A	2VOV	0.71
KYN	KYNURENINE	A	2VOX	0.71
DMB		A,B	1SRI	0.77
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.81
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.81
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.81
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.81
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.81
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.81
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.81
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.81
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.81
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.81
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.81
HAB		A,B	1SRE	0.74
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.71
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3GT4	0.72
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3T	0.72
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3D	0.72
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3S	0.72
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E79	0.72
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.7
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.8
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.8
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.8
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.8
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.73
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.72
MHB		A,B	1SRG	0.75
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.82
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.82
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.82
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.71
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.73
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.75
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.77
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.73
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.71