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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00003855

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.78
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.76
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.75
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.78
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.76
SX12-amino-5-bromobenzoic acidA,B3CIZ0.82
PAB4-AMINOBENZOIC ACIDA1PBD0.82
PAB4-AMINOBENZOIC ACIDB2DZA0.82
PAB4-AMINOBENZOIC ACIDA1IUS0.82
PAB4-AMINOBENZOIC ACIDA1IUU0.82
PAB4-AMINOBENZOIC ACIDA1IUT0.82
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.76
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
DMBA,B1SRI0.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.83
GAB3-AMINOBENZOIC ACIDA,B3GSB0.83
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.83
GAB3-AMINOBENZOIC ACIDA3FHB0.83
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.72
3BZ3-chlorobenzoateX2QVZ0.74
3BZ3-chlorobenzoateX2QVX0.74
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.81
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.81
34Z3,4-dichlorobenzoateX2QVY0.71
34Z3,4-dichlorobenzoateX2QW00.71
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.77
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.77
MHBA,B1SRG0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.78
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
MTBA,B1SRF0.71
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.78
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.76
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.76
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.76
SOAISATOIC ANHYDRIDEA1BIO0.72
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.76
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.78
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
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
HABA,B1SRE0.76
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
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.89
BE22-AMINOBENZOIC ACIDE,I1ZFP0.89
BE22-AMINOBENZOIC ACIDA,B2HU80.89
BE22-AMINOBENZOIC ACIDA,B1AN90.89
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.89
BE22-AMINOBENZOIC ACIDA,B2YR60.89
BE22-AMINOBENZOIC ACIDA,I1E8N0.89
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.89
BE22-AMINOBENZOIC ACIDA1C0I0.89
BE22-AMINOBENZOIC ACIDA,B2JB30.89
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.89
KYNKYNURENINEA,B,C,D2R2N0.74
KYNKYNURENINEA,B3E2Z0.74
KYNKYNURENINEA1XT70.74
KYNKYNURENINEA1T5M0.74
KYNKYNURENINEA1T5N0.74
KYNKYNURENINEA2VOV0.74
KYNKYNURENINEA2VOX0.74
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.76