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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02420091

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.75
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.77
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.79
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.81
BE22-AMINOBENZOIC ACIDE,I1ZFP0.81
BE22-AMINOBENZOIC ACIDA,B2HU80.81
BE22-AMINOBENZOIC ACIDA,B1AN90.81
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.81
BE22-AMINOBENZOIC ACIDA,B2YR60.81
BE22-AMINOBENZOIC ACIDA,I1E8N0.81
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.81
BE22-AMINOBENZOIC ACIDA1C0I0.81
BE22-AMINOBENZOIC ACIDA,B2JB30.81
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.81
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.72
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.75
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.76
TY23-AMINO-L-TYROSINEA,B2VH30.75
DMBA,B1SRI0.93
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
HABA,B1SRE0.97
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.75
3HB3-HYDROXYBENZOIC ACIDA2DKH0.75
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.77
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
HTC3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID
A,B1XGJ0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.77
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.77
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.77
SX12-amino-5-bromobenzoic acidA,B3CIZ0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.82
MOBA,B1SRH0.79
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.73
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.82
44CA2FBR0.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.7
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.77
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.73
AZY3-AZIDO-L-TYROSINEA2YXN0.75
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.77
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.78
MTBA,B1SRF0.9
KYNKYNURENINEA,B,C,D2R2N0.75
KYNKYNURENINEA,B3E2Z0.75
KYNKYNURENINEA1XT70.75
KYNKYNURENINEA1T5M0.75
KYNKYNURENINEA1T5N0.75
KYNKYNURENINEA2VOV0.75
KYNKYNURENINEA2VOX0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.71
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.71
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.78
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
3XH3-Hydroxyhippuric acidA3E9K0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.77
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.88
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.88
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.79
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.75
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.71
MHBA,B1SRG0.95
NABA,B1SRJ0.9
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.75
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.7
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.71
SHASALICYLHYDROXAMIC ACIDA2QPK0.71
SHASALICYLHYDROXAMIC ACIDA3FNL0.71
SHASALICYLHYDROXAMIC ACIDA3GCJ0.71
SHASALICYLHYDROXAMIC ACIDA1CK60.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.71
6CAA2FLM0.73