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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02822729

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.75
UNH({1-[1-CARBAMOYL-PHENYL-METHYL)-
CARBAMOYL]-METHYL}-AMINOOXALYL)-
BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-
CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER
A,C2A4G0.7
959benzyl (2-oxopropyl)carbamateA3D620.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.75
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.7
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.75
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.75
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.84
BNFN-BENZYLFORMAMIDEA,B1U3U0.81
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.71
271N-methyl-1-phenylmethanamineX2RBT0.77
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.79
CT21-(PHENYLMETHYL)CYCLOPENTYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUZ0.74
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.75
ZAP[N-(BENZYLOXYCARBONYL)AMINO](4-
AMIDINOPHENYL)METHANE-PHOSPHONATE
A1MAX0.7
ZAP[N-(BENZYLOXYCARBONYL)AMINO](4-
AMIDINOPHENYL)METHANE-PHOSPHONATE
A1MAY0.7
J54(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-
2-HYDROXYPROPANOIC ACID
A2V350.7