MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01623760

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
4A3	4-AMINO-3-HYDROXYBENZOIC ACID	A,B	2HDR	0.74
A19	5-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACID	A	2GA2	0.7
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.77
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
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
GBS	4-GUANIDINOBENZOIC ACID	X	2AH4	0.76
GBS	4-GUANIDINOBENZOIC ACID	A	1GBT	0.76
GBS	4-GUANIDINOBENZOIC ACID	A	1RTK	0.76
GBS	4-GUANIDINOBENZOIC ACID	A	3DFL	0.76
NTD	2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE- 1,3-DIONE	A,B	1T47	0.7
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBC	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1PBF	0.73
BHA	2-HYDROXY-4-AMINOBENZOIC ACID	A	1SXK	0.73
OBA	2-(OXALYL-AMINO)-BENZOIC ACID	A	1C85	0.75
ST5	4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID	A,B	1ING	0.75
F77	3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID	A	2EA2	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B	3CFQ	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1SV9	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1NR6	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	3HWV	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	B	1DVX	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B6D	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B,C,D	1PXX	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B17	0.71
A75	2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID	A	1YW8	0.74
EOZ	3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID	A,B,C,D	2FZK	0.77
4MB	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	A,B	2HDS	0.81
ST4	4-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACID	A	1INF	0.74
P2C	2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID	A,B	1U21	0.71
LZQ	4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid	A	3EB1	0.71
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.73
PAB	4-AMINOBENZOIC ACID	A	1PBD	0.83
PAB	4-AMINOBENZOIC ACID	B	2DZA	0.83
PAB	4-AMINOBENZOIC ACID	A	1IUS	0.83
PAB	4-AMINOBENZOIC ACID	A	1IUU	0.83
PAB	4-AMINOBENZOIC ACID	A	1IUT	0.83
ICU	METHYL(2-ACETOXY-2-(2-CARBOXY-4- AMINO-PHENYL))ACETATE	A	1JIM	0.75
MTB		A,B	1SRF	0.77
MNP	2-(3-NITROPHENYL)ACETIC ACID	B	1AI5	0.71
RAC	4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID	H	1MEX	0.73
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A,B	1BM7	0.8
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	1S2C	0.8
FLF	2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID	A	2PIX	0.8
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.72
NAB		A,B	1SRJ	0.74
TY2	3-AMINO-L-TYROSINE	A,B	2VH3	0.73
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
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.73
761	3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID	A	1C84	0.72
794	2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID	A	1NO6	0.71
MHB		A,B	1SRG	0.81
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A,B	2VJ1	0.76
XP1	4-(DIMETHYLAMINO)BENZOIC ACID	A	2V6N	0.76
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.72
TYZ	PARA ACETAMIDO BENZOIC ACID	B,C	2BNI	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5K	0.77
TYZ	PARA ACETAMIDO BENZOIC ACID	A	1W5J	0.77
3HA	3-HYDROXYANTHRANILIC ACID	A,B	1U1W	0.72
3HA	3-HYDROXYANTHRANILIC ACID	A	1YFY	0.72
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.71
PPN	PARA-NITROPHENYLALANINE	I	1YTJ	0.7
OFL	O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID	A	1DVZ	0.79
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.7
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.75
ST6	4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID	A,B	1INH	0.76
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.76
A84	2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID	A	1YW9	0.7
MRE	2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID	A,B	2V9C	0.8
A41	5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID	A	1YW7	0.78
IDB	3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID	A	2BXN	0.8
ST3	4-(ACETYLAMINO)-3-AMINO BENZOIC ACID	A,B	1IVE	0.78
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.72
KY1	4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	A,B,C,D	2CH2	0.77
AZY	3-AZIDO-L-TYROSINE	A	2YXN	0.73
878	5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID	A	1ECV	0.73
HAB		A,B	1SRE	0.81
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.79
3B4	2-(cyclohexylamino)benzoic acid	A,B	3B4P	0.78
UN7	3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID	A	2F71	0.71
IBR		A	9EST	0.74
U14	3-(5-AMINO-3-IMINO-3H-PYRAZOL-4- YLAZO)-BENZOIC ACID	A	2GG7	0.84
DMB		A,B	1SRI	0.8
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.79
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.79
AAN	2-(4-NITROPHENYL)ACETIC ACID	B	1AJN	0.72
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3GT4	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3T	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3D	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E3S	0.76
I3C	5-amino-2,4,6-triiodobenzene-1,3- dicarboxylic acid	A	3E79	0.76
4NB	4-NITROBENZOIC ACID	A,B	3CHT	0.77
FDI	4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID	A	1B9S	0.77
KYN	KYNURENINE	A,B,C,D	2R2N	0.74
KYN	KYNURENINE	A,B	3E2Z	0.74
KYN	KYNURENINE	A	1XT7	0.74
KYN	KYNURENINE	A	1T5M	0.74
KYN	KYNURENINE	A	1T5N	0.74
KYN	KYNURENINE	A	2VOV	0.74
KYN	KYNURENINE	A	2VOX	0.74
SX1	2-amino-5-bromobenzoic acid	A,B	3CIZ	0.77
C9P	4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid	A,B	3BM6	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.71
GIS	ETHYL-(2-CARBOXY-4-GUANIDINIUM- PHENYL)-CHLOROACETATE	E	8EST	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.89
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.89
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.89
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.89