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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01764025

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.75
CPUA,B1CR60.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.7
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.7
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.7
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.73
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.7
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.84
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
DPKDEPRENYLA,B2BYB0.71
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
271N-methyl-1-phenylmethanamineX2RBT0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71