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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020330

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
MTBA,B1SRF0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.7
HABA,B1SRE0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.82
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.75
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.75
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.72
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
DMBA,B1SRI0.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.8
BE22-AMINOBENZOIC ACIDE,I1ZFP0.8
BE22-AMINOBENZOIC ACIDA,B2HU80.8
BE22-AMINOBENZOIC ACIDA,B1AN90.8
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.8
BE22-AMINOBENZOIC ACIDA,B2YR60.8
BE22-AMINOBENZOIC ACIDA,I1E8N0.8
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.8
BE22-AMINOBENZOIC ACIDA1C0I0.8
BE22-AMINOBENZOIC ACIDA,B2JB30.8
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.8
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.73
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
MHBA,B1SRG0.74
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.75
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.75
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
PAB4-AMINOBENZOIC ACIDA1PBD0.73
PAB4-AMINOBENZOIC ACIDB2DZA0.73
PAB4-AMINOBENZOIC ACIDA1IUS0.73
PAB4-AMINOBENZOIC ACIDA1IUU0.73
PAB4-AMINOBENZOIC ACIDA1IUT0.73
IBRA9EST0.72
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.78
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.78
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.74
GAB3-AMINOBENZOIC ACIDA,B3GSB0.74
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.74
GAB3-AMINOBENZOIC ACIDA3FHB0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.83
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.83
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.83
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.78
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.71