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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00454954

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.75
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.71
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.71
BHOBENZHYDROXAMIC ACIDA,B1GX20.75
BHOBENZHYDROXAMIC ACIDA1HSR0.75
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.75
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.75
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.75
BHOBENZHYDROXAMIC ACIDA3GCK0.75
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.82
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.73
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.72
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.73
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.71
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.73
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.76
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.73
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.72
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.71
DFMN-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-
L-PHENYLALANINAMIDE
A2CMC0.7
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.71
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.74
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.74
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.73
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.71
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.73
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.7
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.7
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.75
S2DN-BENZOYL-D-ALANINEA,B2JCI0.77
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.74
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.73
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.71
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.8
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.76
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.82
BNFN-BENZYLFORMAMIDEA,B1U3U0.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.71
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.74
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.71
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.8
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71