MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03785619

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
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.81
679	2-CHLORO-5-[4-(3-CHLORO-PHENYL)- 2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL- 3-YLAMINO]-BENZOIC ACID	A,B	1Q4L	0.73
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.72
MHB		A,B	1SRG	0.82
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.75
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.75
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.73
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.73
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.73
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.8
452	2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID	A,B	2QE2	0.73
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.75
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.7
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.75
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.71
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.73
C9P	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid	A,B	3BM6	0.75
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.81
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.71
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.72
A19	5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID	A	2GA2	0.72
CCT	5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID	A,B	2D3U	0.7
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
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.72
DY6	2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid	A,B	3DY6	0.7
968	2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID	A	1ONZ	0.7
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.75
FIH	5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID	A,B	2D3Z	0.71
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.79
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.79
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.79
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.71
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.79
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.76
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.81
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.81
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.81
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
989	2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID	A	1NL9	0.71
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.71
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.77
2T1	2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid	A,B	3FMZ	0.73
KYN	KYNURENINE	A,B,C,D	2R2N	0.78
KYN	KYNURENINE	A,B	3E2Z	0.78
KYN	KYNURENINE	A	1XT7	0.78
KYN	KYNURENINE	A	1T5M	0.78
KYN	KYNURENINE	A	1T5N	0.78
KYN	KYNURENINE	A	2VOV	0.78
KYN	KYNURENINE	A	2VOX	0.78
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.73
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.78
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.8
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.78
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.83
D27	2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid	A,B,C,D	2VD0	0.7
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.71
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.72
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1F42	0.79
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	1RXE	0.79
MNB	5-MERCAPTO-2-NITRO-BENZOIC ACID	A	2PER	0.79
A84	2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID	A	1YW9	0.72
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.73
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.73
DMB		A,B	1SRI	0.81
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.72
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.72
NAB		A,B	1SRJ	0.76
BE2	2-AMINOBENZOIC ACID	A,B,C,D,E,F, G,H	1F8S	0.86
BE2	2-AMINOBENZOIC ACID	E,I	1ZFP	0.86
BE2	2-AMINOBENZOIC ACID	A,B	2HU8	0.86
BE2	2-AMINOBENZOIC ACID	A,B	1AN9	0.86
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2GVQ	0.86
BE2	2-AMINOBENZOIC ACID	A,B	2YR6	0.86
BE2	2-AMINOBENZOIC ACID	A,I	1E8N	0.86
BE2	2-AMINOBENZOIC ACID	A,B,C,D	1ZYK	0.86
BE2	2-AMINOBENZOIC ACID	A	1C0I	0.86
BE2	2-AMINOBENZOIC ACID	A,B	2JB3	0.86
BE2	2-AMINOBENZOIC ACID	A,B,C,D	2E4A	0.86
MTB		A,B	1SRF	0.79
HAB		A,B	1SRE	0.83
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.76
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.76
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.71
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.71
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.71
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.78
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.73
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.76
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.7
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.82
588	2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID	A	1ONY	0.71
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.76
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.76
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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.71
PRQ	(3S)-3-amino-3-(2-nitrophenyl)propanoic acid	C,F,I,L	2VE6	0.71
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.72