MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03779891

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
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.72
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.72
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.72
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.71
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.75
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.79
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.79
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.79
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.79
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.79
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.79
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.79
DMB		A,B	1SRI	0.95
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.72
NCR	2-NITRO-P-CRESOL	A,B	1AHV	0.71
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.72
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.8
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.84
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.84
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
NIY	META-NITRO-TYROSINE	A	2ADP	0.75
NIY	META-NITRO-TYROSINE	A	3DIV	0.75
NIY	META-NITRO-TYROSINE	A	2H5U	0.75
NIY	META-NITRO-TYROSINE	A	1K4Q	0.75
NIY	META-NITRO-TYROSINE	B,G,O,Y	1SDA	0.75
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.71
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.73
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.72
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.76
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.76
MTB		A,B	1SRF	0.89
NAB		A,B	1SRJ	0.84
ST2	4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID	A,B	1IVC	0.71
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.74
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.74
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.7
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.72
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.72
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.72
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.71
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.75
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.73
HAB		A,B	1SRE	0.9
MHB		A,B	1SRG	0.93
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.77
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.73
DZ3	N-(3,5-dibromo-4-hydroxyphenyl)- 4-hydroxy-3,5-dimethylbenzamide	A,B	3ESP	0.7
NPA	2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID	H	1NGP	0.76
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.73
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.73
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.73
MOB		A,B	1SRH	0.76
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.72
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.76
2AC	2-AMINO-P-CRESOL	H,I	1A2C	0.74
2AC	2-AMINO-P-CRESOL	A	1L4M	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.7
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.7
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.7
KYN	KYNURENINE	A,B,C,D	2R2N	0.72
KYN	KYNURENINE	A,B	3E2Z	0.72
KYN	KYNURENINE	A	1XT7	0.72
KYN	KYNURENINE	A	1T5M	0.72
KYN	KYNURENINE	A	1T5N	0.72
KYN	KYNURENINE	A	2VOV	0.72
KYN	KYNURENINE	A	2VOX	0.72
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.76
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.71
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.72
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.75
DMC	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)- 2-METHYL-PROPIONIC ACID	G	4GCH	0.72
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.77
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.77
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.77
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.8
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.7
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.76
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.79
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.73
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.75
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.75
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.75
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.75
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.73
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.71
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.81
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.73
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.71
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BYX	0.75
C00	2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione	A	3BZ0	0.75