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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02419117

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.73
DDTN,O-DIDANSYL-L-TYROSINEA,B1JG00.71
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.73
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID		A2EA20.84
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.71
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A,B2GIR0.79
HABA,B1SRE0.74
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.85
NN21-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-
2H-1,2,4-BENZOTHIADIAZIN-3-YL)-
6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-
ONE		A,B2GIQ0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.74
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.74
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.74
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.87
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.76
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.8
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.8
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.8
8883-(1,1-dioxido-4H-1,2,4-benzothiadiazin-
3-yl)-4-hydroxy-1-(3-methylbutyl)quinolin-
2(1H)-one		A,B2FVC0.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.76
BE22-AMINOBENZOIC ACIDE,I1ZFP0.76
BE22-AMINOBENZOIC ACIDA,B2HU80.76
BE22-AMINOBENZOIC ACIDA,B1AN90.76
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.76
BE22-AMINOBENZOIC ACIDA,B2YR60.76
BE22-AMINOBENZOIC ACIDA,I1E8N0.76
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.76
BE22-AMINOBENZOIC ACIDA1C0I0.76
BE22-AMINOBENZOIC ACIDA,B2JB30.76
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.76
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.71
CCT5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID		A,B2D3U0.74
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.86
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.72
MTBA,B1SRF0.73
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID		A1B8Y0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.77
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.71
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
DMBA,B1SRI0.73
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE		A1KWR0.74
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.71
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE		H1WZ10.75
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID		A1YW90.83
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
SNHA,B2D410.75
MHBA,B1SRG0.74
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.74
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
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.73
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID		A1YW80.82
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.75
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.75
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.73
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.84
INUN-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-
2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE		A7UPJ0.71
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID		A,B1NMS0.71
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A1UPV0.75
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A,B2O9I0.75
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A,B,C,D1PQC0.75
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A,B1UHL0.75
444N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-
TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE		A1UPW0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.76
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.81
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A1YVX0.8
SX12-amino-5-bromobenzoic acidA,B3CIZ0.7
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EKO0.72
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE		A1EL30.72
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID		A,B2D3Z0.77
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID		A2EA40.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
RYU(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-
1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-
2,3'-BIINDOL-2'(1'H)-ONE		A2BHH0.75
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.75
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid		A3EB10.74
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.71
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid		A,B3BM60.79
TAVN-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-
5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-
L-ASPARTIC ACID		A,B,C,D1YBG0.71
JPC3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A1YVZ0.74
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.78
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.71
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.79