MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03801799

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
2TY	2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}- L-TYROSINE	A,B	2CWV	0.7
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.73
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.76
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.73
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6Y	0.72
TYQ	3-AMINO-6-HYDROXY-TYROSINE	A,B	1D6U	0.72
OPB	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE	A	1Q7A	0.7
OPB	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE	A,B	2BXB	0.7
OPB	4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE- 3,5-DIONE	A	2BXO	0.7
MTB		A,B	1SRF	0.86
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.78
MHB		A,B	1SRG	0.9
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.76
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
R2C	5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID	A	2PRL	0.75
HAB		A,B	1SRE	0.92
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.82
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.82
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.82
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.82
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.82
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.82
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.82
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.82
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.82
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.82
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.82
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.78
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.78
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.78
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
617	2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID	A	2QE5	0.7
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.76
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.71
BIE	(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE	A,B	2CL5	0.7
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.7
135	N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY- BENZAMIDE	B	1GJA	0.74
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.73
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.78
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.78
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.76
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.73
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.72
HNA	1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE	A	1M2P	0.72
NU1	8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE	A	4PAX	0.71
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFW	0.73
4AA	4-CHLORO-3-HYDROXYANTHRANILIC ACID	A	1YFX	0.73
247	(3R)-3-amino-2,2-difluoro-3-(4- hydroxyphenyl)propanoic acid	A,B	2QVE	0.7
LI7	(3E)-3-[(4-HYDROXYPHENYL)IMINO]- 1H-INDOL-2(3H)-ONE	A	1YXX	0.71
DZ1	N-(3,5-dibromo-4-hydroxyphenyl)- 2,6-dimethylbenzamide	A,B	3ESN	0.7
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.78
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.75
LJ5	N-(3,5-dibromo-4-hydroxyphenyl)benzamide	A,B	3CN4	0.74
DMB		A,B	1SRI	0.88
MOB		A,B	1SRH	0.76
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.78
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.78
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.78
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.78
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.72
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
44C		A	2FBR	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
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.82
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.82
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.73
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.71
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.71
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.75
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.71
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.71
NAB		A,B	1SRJ	0.83
KYN	KYNURENINE	A,B,C,D	2R2N	0.73
KYN	KYNURENINE	A,B	3E2Z	0.73
KYN	KYNURENINE	A	1XT7	0.73
KYN	KYNURENINE	A	1T5M	0.73
KYN	KYNURENINE	A	1T5N	0.73
KYN	KYNURENINE	A	2VOV	0.73
KYN	KYNURENINE	A	2VOX	0.73
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.71
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.71
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.78
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.78
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.78
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
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.71
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.74
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
6CA		A	2FLM	0.73
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.77