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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006029

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
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.77
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.77
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.77
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.73
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.79
PAB4-AMINOBENZOIC ACIDA1PBD0.83
PAB4-AMINOBENZOIC ACIDB2DZA0.83
PAB4-AMINOBENZOIC ACIDA1IUS0.83
PAB4-AMINOBENZOIC ACIDA1IUU0.83
PAB4-AMINOBENZOIC ACIDA1IUT0.83
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.83
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MTBA,B1SRF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.78
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.78
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.77
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.79
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.79
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.79
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.72
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.81
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.81
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
HABA,B1SRE0.77
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.79
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.72
MHBA,B1SRG0.76
DMBA,B1SRI0.75
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.77
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.79
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.77
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.91
BE22-AMINOBENZOIC ACIDE,I1ZFP0.91
BE22-AMINOBENZOIC ACIDA,B2HU80.91
BE22-AMINOBENZOIC ACIDA,B1AN90.91
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.91
BE22-AMINOBENZOIC ACIDA,B2YR60.91
BE22-AMINOBENZOIC ACIDA,I1E8N0.91
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.91
BE22-AMINOBENZOIC ACIDA1C0I0.91
BE22-AMINOBENZOIC ACIDA,B2JB30.91
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.91
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.78
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.79
34Z3,4-dichlorobenzoateX2QVY0.74
34Z3,4-dichlorobenzoateX2QW00.74
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.77
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
1744-CHLORO-BENZOIC ACIDX3DLP0.76
1744-CHLORO-BENZOIC ACIDX1T5D0.76
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.78
KYNKYNURENINEA,B,C,D2R2N0.75
KYNKYNURENINEA,B3E2Z0.75
KYNKYNURENINEA1XT70.75
KYNKYNURENINEA1T5M0.75
KYNKYNURENINEA1T5N0.75
KYNKYNURENINEA2VOV0.75
KYNKYNURENINEA2VOX0.75
SOAISATOIC ANHYDRIDEA1BIO0.72
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.76
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.76
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.74
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.85
GAB3-AMINOBENZOIC ACIDA,B3GSB0.85
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.85
GAB3-AMINOBENZOIC ACIDA3FHB0.85
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.79