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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01080771

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1W3C0.8
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
JPC3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVZ0.71
ILFA2FPY0.78
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A4LBD0.73
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXX0.73
HTC3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-
2-CARBOXYLIC ACID
A,B1XGJ0.72
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid
A,B3BM60.72
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.71
SNHA,B2D410.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.71
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXA0.73
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QA30.7
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2Q7W0.7
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QBT0.7
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QB30.7
KSTN~6~-(5-CARBOXY-3-THIENYL)-L-LYSINEA2QB20.7
ILCA2FPV0.8
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.71
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,B1W3C0.8
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A,B2GIR0.75
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3Z0.72
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID
A1NZ70.7
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVX0.76
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