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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02427274

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.78
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
BENBENZAMIDINEA2TIO0.75
BENBENZAMIDINEA1J150.75
BENBENZAMIDINEA,B3BEU0.75
BENBENZAMIDINET1V2U0.75
BENBENZAMIDINEA,B,C,D,E,F3CF80.75
BENBENZAMIDINEA1S0R0.75
BENBENZAMIDINEA,B1V160.75
BENBENZAMIDINEA1CC70.75
BENBENZAMIDINEA3BG80.75
BENBENZAMIDINEA1CC80.75
BENBENZAMIDINEA3PTB0.75
BENBENZAMIDINEA,B1TRM0.75
BENBENZAMIDINEA1ZHR0.75
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.75
BENBENZAMIDINEA2BLV0.75
BENBENZAMIDINEA,B,C,D,E,F2GLP0.75
BENBENZAMIDINEH,I3D490.75
BENBENZAMIDINEH,L,T2AER0.75
BENBENZAMIDINEA1J140.75
BENBENZAMIDINEA1NSA0.75
BENBENZAMIDINEA2AYW0.75
BENBENZAMIDINEA1BRA0.75
BENBENZAMIDINEA,B,C,D1A0J0.75
BENBENZAMIDINEB,C,D2AST0.75
BENBENZAMIDINEA,B2CKR0.75
BENBENZAMIDINEA1LPU0.75
BENBENZAMIDINEA1ZHM0.75
BENBENZAMIDINEA1J8A0.75
BENBENZAMIDINEA,B3BCX0.75
BENBENZAMIDINEA,B,C,D,E,F3CF90.75
BENBENZAMIDINEA,B,C,D,E,F3D040.75
BENBENZAMIDINEA,B,C,D,E,F2GLL0.75
BENBENZAMIDINEA1AND0.75
BENBENZAMIDINEA2TBS0.75
BENBENZAMIDINEA,B,C,D,E,F3DP20.75
BENBENZAMIDINET1V2M0.75
BENBENZAMIDINEA2EEK0.75
BENBENZAMIDINEH,I2ZI20.75
BENBENZAMIDINET1V2J0.75
BENBENZAMIDINEH1KLI0.75
BENBENZAMIDINEA1CE50.75
BENBENZAMIDINEA,B,C,D,E,F3B7J0.75
BENBENZAMIDINEB,Y2PKA0.75
BENBENZAMIDINEA2VJ00.75
BENBENZAMIDINEA3B3J0.75
BENBENZAMIDINEA,B,C,D,E,F3DOY0.75
BENBENZAMIDINEA,B,C,D,E,F3DP30.75
BENBENZAMIDINEA,B,C,D,E,F2GLM0.75
BENBENZAMIDINEA1ANB0.75
BENBENZAMIDINEA1LO60.75
BENBENZAMIDINEA1LR40.75
BENBENZAMIDINEA,B1V1M0.75
BENBENZAMIDINEA1ZHP0.75
BENBENZAMIDINEA2J9N0.75
BENBENZAMIDINEA2BMV0.75
BENBENZAMIDINEA,B2CKS0.75
BENBENZAMIDINEA2BLW0.75
BENBENZAMIDINEA1J160.75
BENBENZAMIDINEA,B1V110.75
BENBENZAMIDINEA,B,C,D,E,F3DP00.75
BENBENZAMIDINEB1RTF0.75
BENBENZAMIDINEA,B,C,D,E,F3DP10.75
BENBENZAMIDINEA,B,C,D2E580.75
BENBENZAMIDINEA2TRM0.75
BENBENZAMIDINET1V2V0.75
BENBENZAMIDINEA1MBQ0.75
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.75
BENBENZAMIDINEA2O8U0.75
BENBENZAMIDINEH1DWB0.75
BENBENZAMIDINEB,C2ASS0.75
BENBENZAMIDINEA1ANE0.75
BENBENZAMIDINEH,I2ZIQ0.75
BENBENZAMIDINEA1BIT0.75
BENBENZAMIDINEA2AIQ0.75
BENBENZAMIDINEA2OQ50.75
BENBENZAMIDINEA1ANC0.75
BENBENZAMIDINEH1JBU0.75
BENBENZAMIDINEA,B2BPQ0.75
BENBENZAMIDINEA,B,C,D2GNN0.75
BENBENZAMIDINET1V2S0.75
BENBENZAMIDINEA1H4W0.75
BENBENZAMIDINEA1OSS0.75
BENBENZAMIDINEA1W800.75
BENBENZAMIDINEA1BTY0.75
BENBENZAMIDINEH,I2ZFQ0.75
BENBENZAMIDINEA1EAX0.75
BENBENZAMIDINEA1L2E0.75
BENBENZAMIDINEA1WRI0.75
BENBENZAMIDINEA,B3BB80.75
BENBENZAMIDINEA2OXS0.75
BENBENZAMIDINEA1DPO0.75
BENBENZAMIDINET1V2L0.75
271N-methyl-1-phenylmethanamineX2RBT0.79
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.7
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.9
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.9
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.9
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.74
BAMBENZAMIDINEU1F5K0.75
BAMBENZAMIDINEX2BY80.75
BAMBENZAMIDINEB2PSM0.75
BAMBENZAMIDINEX2BY90.75
BAMBENZAMIDINEA1C1N0.75
BAMBENZAMIDINEX2BY60.75
BAMBENZAMIDINEH,I1C5O0.75
BAMBENZAMIDINEA1XX40.75
BAMBENZAMIDINEA1HJ80.75
BAMBENZAMIDINEA1C5P0.75
BAMBENZAMIDINEB1C5Z0.75
BAMBENZAMIDINEA,B1ZVW0.75
BAMBENZAMIDINEA2ANW0.75
BAMBENZAMIDINEA2ANY0.75
BAMBENZAMIDINEX2BYA0.75
BAMBENZAMIDINEA1TIO0.75
BAMBENZAMIDINEX2BY50.75
BAMBENZAMIDINEX2BY70.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
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
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72