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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01985515

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
I03(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-
({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE		A2IS00.73
GBS4-GUANIDINOBENZOIC ACIDX2AH40.76
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.76
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.76
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.76
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.84
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.73
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE		A1TKX0.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.77
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE		A1RT60.85
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.82
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.75
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE		E8EST0.75
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.81
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.7
922(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
6-HYDROXY-5-ISOPROPYL-3-OXO-1-PHENYL-
2,7-DIOXA-4-AZA-6-PHOSPHANONAN-
9-OIC ACID 6-OXIDE		A,B,C2PJ00.71
H126-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-
2(1H)-ONE		A1TKT0.72
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.71
U02[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-
2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-
METHYL}-PHENYLCARBAMOYL)-ETHYL]-
CARBAMIC ACID TERT-BUTYL ESTER		A2UPJ0.72
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.78
SK2(3R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER		A2F6V0.71
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.77
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.8
GAB3-AMINOBENZOIC ACIDA,B3GSB0.8
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.8
GAB3-AMINOBENZOIC ACIDA3FHB0.8
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER		X1U9Q0.7
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.78
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.79
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
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
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate		A,B,C,D2VW50.71
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.76
6CAA2FLM0.7
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.77
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.76
3AB3-aminobenzamideA,B,C,D3GOY0.71
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.77
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.82
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.82
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.82
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.71
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.81
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE		A2PH60.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.74
H206-CHLORO-4-(CYCLOHEXYLOXY)-3-ISOPROPYLQUINOLIN-
2(1H)-ONE		A1TL30.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.8
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.78
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID		A2GG70.73
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.71
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.71
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one		A2QFO0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.77
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.77
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
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE		A1RT70.8
IBRA9EST0.75
11B(5R,6S,8S)-8-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
6-HYDROXY-3-OXO-5-PENTYL-1-PHENYL-
2,7-DIOXA-4-AZA-6-PHOSPHANONAN-
9-OIC ACID 6-OXIDE		A,B,C2PJ50.71
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,D3DEJ0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.73
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE		A1JIM0.76
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.76
44CA2FBR0.7
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.75
BE22-AMINOBENZOIC ACIDE,I1ZFP0.75
BE22-AMINOBENZOIC ACIDA,B2HU80.75
BE22-AMINOBENZOIC ACIDA,B1AN90.75
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.75
BE22-AMINOBENZOIC ACIDA,B2YR60.75
BE22-AMINOBENZOIC ACIDA,I1E8N0.75
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.75
BE22-AMINOBENZOIC ACIDA1C0I0.75
BE22-AMINOBENZOIC ACIDA,B2JB30.75
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.77
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate		A3C7Q0.76