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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00100103

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.71
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.78
S2DN-BENZOYL-D-ALANINEA,B2JCI0.76
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.72
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.72
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.77
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.72
MS22,2-DICHLORO-1-METHANESULFINYL-
3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-
(4-BROMO-PHENYL)-ETHYL]-AMIDE
A,B,C6STD0.71
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.71
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.78
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.71
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.74
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.74
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.7
TINA,B1N940.71
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.73
AO5A1R580.73
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.76
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.76
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.76
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.7
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.74
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE
A2P930.73
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.7
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.74
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE
A2P950.73
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.7
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.73
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.82
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.78
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.73
CS4S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-
L-CYSTEINE
A2OQZ0.74
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.72
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.7
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.78
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.77
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.78
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.72
BM1(R)-(+)9B-(3-METHYL)PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
5(9BH)-ONE
A1C0T0.7
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.78