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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011018

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1744-CHLORO-BENZOIC ACIDX3DLP0.72
1744-CHLORO-BENZOIC ACIDX1T5D0.72
DMBA,B1SRI0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
HABA,B1SRE0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
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
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.77
PAB4-AMINOBENZOIC ACIDA1PBD0.76
PAB4-AMINOBENZOIC ACIDB2DZA0.76
PAB4-AMINOBENZOIC ACIDA1IUS0.76
PAB4-AMINOBENZOIC ACIDA1IUU0.76
PAB4-AMINOBENZOIC ACIDA1IUT0.76
SX12-amino-5-bromobenzoic acidA,B3CIZ0.76
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.85
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.85
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.85
3BZ3-chlorobenzoateX2QVZ0.73
3BZ3-chlorobenzoateX2QVX0.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.71
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.74
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.75
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.75
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.71
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
4NB4-NITROBENZOIC ACIDA,B3CHT0.84
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
MHBA,B1SRG0.72
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.71
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
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.71
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.78
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.71