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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02437438

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.77
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
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.76
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.76
GAB3-AMINOBENZOIC ACIDA,B3GSB0.76
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.76
GAB3-AMINOBENZOIC ACIDA3FHB0.76
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
MTBA,B1SRF0.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.76
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.7
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.72
HABA,B1SRE0.78
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
NIYMETA-NITRO-TYROSINEA2ADP0.7
NIYMETA-NITRO-TYROSINEA3DIV0.7
NIYMETA-NITRO-TYROSINEA2H5U0.7
NIYMETA-NITRO-TYROSINEA1K4Q0.7
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.78
4NB4-NITROBENZOIC ACIDA,B3CHT0.79
MHBA,B1SRG0.76
SX12-amino-5-bromobenzoic acidA,B3CIZ0.75
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
DMBA,B1SRI0.76
NABA,B1SRJ0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
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
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.74
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.8
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.8
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.8