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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00616418

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MZ2(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-
3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-
4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE
A,B2QHZ0.74
ETS(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIL0.71
MZ1N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-
2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-
TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-
L-ALANINAMIDE
A,B2QHY0.71
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.81
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.73
MTS(4S-TRANS)-4-(METHYLAMINO)-5,6-
DIHYDRO-6-METHYL-4H-THIENO(2,3-
B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
A1CIN0.71
CTBN-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDA,B1FSW0.72
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.88
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.88
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.88
VA1{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-
2-YL}BORONIC ACID
A,B2I720.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
K03N,N-DIETHYL-5,5-DIMETHYL-2-[(2-
THIENYLCARBONYL)AMINO]-4,5,6,7-
TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYM0.71
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.72
K01N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-
4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-
3-CARBOXAMIDE
A,B2PG20.72
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1PI50.74
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A1NXY0.74
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1MXO0.74
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1YM10.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
K02(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-
2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-
1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYI0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1JK30.77
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1MMB0.77
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A2RJQ0.77
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1RM80.77
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B2J830.77
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B1DTH0.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.73
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.71
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.7