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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03027832

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.75
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
872(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN-
2-ONE
A,B2IIT0.7
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
271N-methyl-1-phenylmethanamineX2RBT0.81
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.78
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
BZZBENZYLHYDRAZINEA,B2E2V0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.76
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.7
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.74