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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02357117

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID
A1WV00.7
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid
B,E,G,H,J,L,
N,P
3H060.73
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.8
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.71
JPC3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVZ0.71
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.78
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.75
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.82
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.74
DIZ(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-
7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-
4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID
A,B1T4E0.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.78
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.72
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.7
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.77
RXC(1S)-1-(3-chlorophenyl)-2-oxo-2-
[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
5-yl)amino]ethyl acetate
A,B,C,D3DEJ0.7
BN27-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACIDA1WUT0.71
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.78
AVD1-(2-carboxyphenyl)-7-chloro-6-
[(2-chloro-4,6-difluorophenyl)amino]-
4-oxo-1,4-dihydroquinoline-3-carboxylic acid
A,B3CEM0.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.75
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID
A,B,C,D,E,F,
G,H
2OZR0.73
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.7
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
A1ONY0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.72
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID
A1NZ70.71
055(2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]amino}(phenyl)ethanoic acid
A,B3DDW0.77
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE
A1TKT0.71
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE
A1RT70.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.77
BE22-AMINOBENZOIC ACIDE,I1ZFP0.77
BE22-AMINOBENZOIC ACIDA,B2HU80.77
BE22-AMINOBENZOIC ACIDA,B1AN90.77
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.77
BE22-AMINOBENZOIC ACIDA,B2YR60.77
BE22-AMINOBENZOIC ACIDA,I1E8N0.77
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.77
BE22-AMINOBENZOIC ACIDA1C0I0.77
BE22-AMINOBENZOIC ACIDA,B2JB30.77
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.77
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
KYNKYNURENINEA,B,C,D2R2N0.7
KYNKYNURENINEA,B3E2Z0.7
KYNKYNURENINEA1XT70.7
KYNKYNURENINEA1T5M0.7
KYNKYNURENINEA1T5N0.7
KYNKYNURENINEA2VOV0.7
KYNKYNURENINEA2VOX0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.72
GAB3-AMINOBENZOIC ACIDA,B3GSB0.72
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.72
GAB3-AMINOBENZOIC ACIDA3FHB0.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.78
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.73
ICL[1-(3-CHLORO-2-FORMYL-PHENYLCARBAMOYL)-
2-METHYL-PROPYL]-CARBAMIC ACID TERT-
BUTYL ESTER
A1INC0.71
P202-(5-{[AMINO(IMINO)METHYL]AMINO}-
2-CHLOROPHENYL)-3-SULFANYLPROPANOIC ACID
A,B,C1ZG70.72
L1D(2R,4S)-N^1^-(4-chlorophenyl)-N^2^-
[2-fluoro-4-(2-oxopyridin-1(2H)-
yl)phenyl]-4-hydroxy-4-phenylpyrrolidine-
1,2-dicarboxamide
A,C2W3K0.71
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.72
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.78
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.8
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.71
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.83
BN34-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACIDA1WUY0.7
GBS4-GUANIDINOBENZOIC ACIDX2AH40.77
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.77
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.77
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.77
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.75
AVF1-{2-[3-(2-Chloro-4,5-difluoro-
benzoyl)-ureido]-4-fluoro-phenyl}-
piperidine-4-carboxylic acid
A,B3CEJ0.72
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.7
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.7
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.72
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE
B1GJD0.71
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE
A,B2F350.72
BN55-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2-METHYLPHENOXY]PENTANOIC ACID
A1WV10.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
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
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.78
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.78
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.78
SX12-amino-5-bromobenzoic acidA,B3CIZ0.72
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.79
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.79
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.71