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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03784856

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2TY2-HYDROXY-5-{[(1E)-2-PHENYLETHYLIDENE]AMINO}-
L-TYROSINE
A,B2CWV0.7
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
MHBA,B1SRG0.82
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
HABA,B1SRE0.84
SHASALICYLHYDROXAMIC ACIDX1V0H0.75
SHASALICYLHYDROXAMIC ACIDA2QPK0.75
SHASALICYLHYDROXAMIC ACIDA3FNL0.75
SHASALICYLHYDROXAMIC ACIDA3GCJ0.75
SHASALICYLHYDROXAMIC ACIDA1CK60.75
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.73
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.7
3XH3-Hydroxyhippuric acidA3E9K0.74
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.71
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.73
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.72
NIYMETA-NITRO-TYROSINEA2ADP0.75
NIYMETA-NITRO-TYROSINEA3DIV0.75
NIYMETA-NITRO-TYROSINEA2H5U0.75
NIYMETA-NITRO-TYROSINEA1K4Q0.75
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.75
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.78
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.78
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.72
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.77
TY23-AMINO-L-TYROSINEA,B2VH30.75
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.75
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.71
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.72
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER
A1ZSK0.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.73
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.73
HTC3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID
A,B1XGJ0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.72
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.72
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
KYNKYNURENINEA,B,C,D2R2N0.7
KYNKYNURENINEA,B3E2Z0.7
KYNKYNURENINEA1XT70.7
KYNKYNURENINEA1T5M0.7
KYNKYNURENINEA1T5N0.7
KYNKYNURENINEA2VOV0.7
KYNKYNURENINEA2VOX0.7
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
6CAA2FLM0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.71
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.72
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.7
AZY3-AZIDO-L-TYROSINEA2YXN0.75
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.74
3FTA2BXV0.73
MOBA,B1SRH0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.8
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.74
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.77
3MB3-METHOXYBENZAMIDEA3PAX0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.76
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.76
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.7
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.7
MTBA,B1SRF0.8
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.75
NABA,B1SRJ0.83
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.76
44CA2FBR0.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.78
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
DMBA,B1SRI0.8
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.72
ILBA2FPT0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.74
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.75
BE22-AMINOBENZOIC ACIDE,I1ZFP0.75
BE22-AMINOBENZOIC ACIDA,B2HU80.75
BE22-AMINOBENZOIC ACIDA,B1AN90.75
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.75
BE22-AMINOBENZOIC ACIDA,B2YR60.75
BE22-AMINOBENZOIC ACIDA,I1E8N0.75
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.75
BE22-AMINOBENZOIC ACIDA1C0I0.75
BE22-AMINOBENZOIC ACIDA,B2JB30.75
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.75
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.75