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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01169295

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.71
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.7
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.77
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.71
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.71
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.7
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.8
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.77
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.7
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.71
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.79
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.7
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.7
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.77
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.7
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.73
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.79
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.76
352(5S)-2-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-
5-(1-hydroxy-1-methylethyl)-5-methyl-
1,3-thiazol-4(5H)-one
A,B,C,D3EY40.7
S2DN-BENZOYL-D-ALANINEA,B2JCI0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.72
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.71
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.7
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.71
FRM2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-
1(2H)-PYRIDINYL]PROPYL}-8-METHYL-
4(3H)-QUINAZOLINONE
A,B1UK00.7
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.7
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.7
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.7