MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02657769

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
421	6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER	A	1ZSK	0.72
ACJ	5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]- 2-NITROBENZOIC ACID	A,B	2IVD	0.74
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.73
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.73
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.74
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.79
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.79
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.79
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.79
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.84
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.72
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.74
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
617	2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID	A	2QE5	0.73
6CA		A	2FLM	0.76
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.74
MOB		A,B	1SRH	0.78
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.79
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A,B	1IVD	0.7
ST1	4-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACID	A	1IVB	0.7
DPA		A,B	1PIK	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.73
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	P	1JCM	0.71
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBM	0.71
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBL	0.71
137	1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE	A	1LBF	0.71
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.8
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.76
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.76
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.76
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.71
2AC	2-AMINO-P-CRESOL	A	1L4M	0.71
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.71
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.71
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.83
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.83
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.83
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.83
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.83
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.83
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.83
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.83
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.83
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.83
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.83
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.7
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.75
DMB		A,B	1SRI	0.85
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.71
3XH	3-Hydroxyhippuric acid	A	3E9K	0.72
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.72
MHB		A,B	1SRG	0.87
3FT		A	2BXV	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.71
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.71
296	(3R)-3-amino-2,2-difluoro-3-(4- methoxyphenyl)propanoic acid	A,B	2RJS	0.71
HTC	3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE- 2-CARBOXYLIC ACID	A,B	1XGJ	0.7
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.75
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.76
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.7
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1Q0B	0.74
NAT	ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL- 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE- 5-CARBOXYLATE	A,B	1X88	0.74
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.74
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,C,D,I,J, K,L	3EWF	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	A,B,I,L	2V5W	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	B	1VDN	0.71
MCM	7-AMINO-4-METHYL-CHROMEN-2-ONE	C	1VAI	0.71
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.71
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.83
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.75
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.75
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.75
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.75
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.72
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.71
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.71
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.72
NAB		A,B	1SRJ	0.81
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.74
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.71
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.73
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.71
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.71
HAB		A,B	1SRE	0.87
KYN	KYNURENINE	A,B,C,D	2R2N	0.75
KYN	KYNURENINE	A,B	3E2Z	0.75
KYN	KYNURENINE	A	1XT7	0.75
KYN	KYNURENINE	A	1T5M	0.75
KYN	KYNURENINE	A	1T5N	0.75
KYN	KYNURENINE	A	2VOV	0.75
KYN	KYNURENINE	A	2VOX	0.75
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.78
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.78
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.74
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.75
44C		A	2FBR	0.77
MTY	META-TYROSINE	A	2TOH	0.71
MTY	META-TYROSINE	A,B	1BIQ	0.71
MTY	META-TYROSINE	A	1Q7O	0.71
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.88
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.88
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.79
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.79
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.79
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.75
B23	5-(2-NITROPHENYL)-2-FUROIC ACID	A	2Q92	0.72
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.76
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.73
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.75
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.71
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.71
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.71
MTB		A,B	1SRF	0.82
NIY	META-NITRO-TYROSINE	A	2ADP	0.71
NIY	META-NITRO-TYROSINE	A	3DIV	0.71
NIY	META-NITRO-TYROSINE	A	2H5U	0.71
NIY	META-NITRO-TYROSINE	A	1K4Q	0.71
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.71
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.77