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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078764

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
DMBA,B1SRI0.72
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
3AB3-aminobenzamideA,B,C,D3GOY0.72
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.75
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.7
PAB4-AMINOBENZOIC ACIDA1PBD0.8
PAB4-AMINOBENZOIC ACIDB2DZA0.8
PAB4-AMINOBENZOIC ACIDA1IUS0.8
PAB4-AMINOBENZOIC ACIDA1IUU0.8
PAB4-AMINOBENZOIC ACIDA1IUT0.8
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.75
HABA,B1SRE0.74
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.75
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.74
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.74
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.82
BE22-AMINOBENZOIC ACIDE,I1ZFP0.82
BE22-AMINOBENZOIC ACIDA,B2HU80.82
BE22-AMINOBENZOIC ACIDA,B1AN90.82
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.82
BE22-AMINOBENZOIC ACIDA,B2YR60.82
BE22-AMINOBENZOIC ACIDA,I1E8N0.82
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.82
BE22-AMINOBENZOIC ACIDA1C0I0.82
BE22-AMINOBENZOIC ACIDA,B2JB30.82
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.82
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.76
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
KYNKYNURENINEA,B,C,D2R2N0.9
KYNKYNURENINEA,B3E2Z0.9
KYNKYNURENINEA1XT70.9
KYNKYNURENINEA1T5M0.9
KYNKYNURENINEA1T5N0.9
KYNKYNURENINEA2VOV0.9
KYNKYNURENINEA2VOX0.9
ISNISATINA,B1OJA0.7
ISNISATINA,B2BK50.7
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.77
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.95
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.81
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.78
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.78
GAB3-AMINOBENZOIC ACIDA,B3GSB0.78
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.78
GAB3-AMINOBENZOIC ACIDA3FHB0.78
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
MHBA,B1SRG0.72
IBRA9EST0.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.74
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.74
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.75