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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01026367

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CCT5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID		A,B2D3U0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
ILCA2FPV0.75
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QA30.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2Q7W0.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QBT0.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QB30.81
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QB20.81
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE		A2P930.72
JPC3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A1YVZ0.76
UBE3-({3-[(2S)-2-amino-2-carboxyethyl]-
5-methyl-2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)-5-phenylthiophene-
2-carboxylic acid		A,B2QS30.73
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID		A1YW90.71
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.73
ILFA2FPY0.72
4B34-BROMO-3-(CARBOXYMETHOXY)-5-{3-
[(3,3,5,5-TETRAMETHYLCYCLOHEXYL)AMINO]PHENYL}THIOPHENE-
2-CARBOXYLIC ACID		A2QBQ0.71
DN23-({(2S)-2-[({(1S)-1-[({(1S)-1-
[(R)-CARBOXY(HYDROXY)METHYL]-3,3-
DIFLUOROPROPYL}AMINO)CARBONYL]-
3-METHYLBUTYL}AMINO)CARBONYL]-2,3-
DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-
2-CARBOXYLIC ACID		A,B1W3C0.72
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
GV93-(acetylamino)thiophene-2-carboxylic acidA,B3GV90.71
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid		A,B3BM60.75
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.76
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.7
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.71
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID		A2EA20.72
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE		A2P950.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.7
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID		A2F710.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.74
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.73
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A,B2GIR0.82
0244-BROMO-3-(CARBOXYMETHOXY)-5-[3-
(CYCLOHEXYLAMINO)PHENYL]THIOPHENE-
2-CARBOXYLIC ACID		A2QBS0.71
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid		A3DN50.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
STC3-[(4-CHLOROANILINO)SULFONYL]THIOPHENE-
2-CARBOXYLIC ACID		A,B1L2S0.7
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID		A,B2D3Z0.74
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A1YVX0.82
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.71
SNHA,B2D410.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.73
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID		A,B2RCX0.75
PAB4-AMINOBENZOIC ACIDA1PBD0.7
PAB4-AMINOBENZOIC ACIDB2DZA0.7
PAB4-AMINOBENZOIC ACIDA1IUS0.7
PAB4-AMINOBENZOIC ACIDA1IUU0.7
PAB4-AMINOBENZOIC ACIDA1IUT0.7
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.72
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.71
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID		A1YW80.71
DN13-({(2S)-2-[({(1R)-1-[({(1R)-1-
[(R)-CARBOXY(HYDROXY)METHYL]-3,3-
DIFLUOROPROPYL}AMINO)CARBONYL]-
3-METHYLBUTYL}AMINO)CARBONYL]-2,3-
DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE-
2-CARBOXYLIC ACID		A,B1W3C0.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1PI50.78
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A1NXY0.78
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1MXO0.78
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1YM10.78
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
9105-[3-(BENZYLAMINO)PHENYL]-4-BROMO-
3-(CARBOXYMETHOXY)THIOPHENE-2-CARBOXYLIC ACID		A2QBR0.71
HTC3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID		A,B1XGJ0.71
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73