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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01300588

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.72
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.77
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.77
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.7
N2T(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-
2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-
1H-PYRROLE-1-CARBOXAMIDE
A,B2FKY0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.77
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.77
N5T(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-
DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-
PYRROLE-1-CARBOXAMIDE
A,B2FL60.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
BENBENZAMIDINEA2TIO0.73
BENBENZAMIDINEA1J150.73
BENBENZAMIDINEA,B3BEU0.73
BENBENZAMIDINET1V2U0.73
BENBENZAMIDINEA,B,C,D,E,F3CF80.73
BENBENZAMIDINEA1S0R0.73
BENBENZAMIDINEA,B1V160.73
BENBENZAMIDINEA1CC70.73
BENBENZAMIDINEA3BG80.73
BENBENZAMIDINEA1CC80.73
BENBENZAMIDINEA3PTB0.73
BENBENZAMIDINEA,B1TRM0.73
BENBENZAMIDINEA1ZHR0.73
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.73
BENBENZAMIDINEA2BLV0.73
BENBENZAMIDINEA,B,C,D,E,F2GLP0.73
BENBENZAMIDINEH,I3D490.73
BENBENZAMIDINEH,L,T2AER0.73
BENBENZAMIDINEA1J140.73
BENBENZAMIDINEA1NSA0.73
BENBENZAMIDINEA2AYW0.73
BENBENZAMIDINEA1BRA0.73
BENBENZAMIDINEA,B,C,D1A0J0.73
BENBENZAMIDINEB,C,D2AST0.73
BENBENZAMIDINEA,B2CKR0.73
BENBENZAMIDINEA1LPU0.73
BENBENZAMIDINEA1ZHM0.73
BENBENZAMIDINEA1J8A0.73
BENBENZAMIDINEA,B3BCX0.73
BENBENZAMIDINEA,B,C,D,E,F3CF90.73
BENBENZAMIDINEA,B,C,D,E,F3D040.73
BENBENZAMIDINEA,B,C,D,E,F2GLL0.73
BENBENZAMIDINEA1AND0.73
BENBENZAMIDINEA2TBS0.73
BENBENZAMIDINEA,B,C,D,E,F3DP20.73
BENBENZAMIDINET1V2M0.73
BENBENZAMIDINEA2EEK0.73
BENBENZAMIDINEH,I2ZI20.73
BENBENZAMIDINET1V2J0.73
BENBENZAMIDINEH1KLI0.73
BENBENZAMIDINEA1CE50.73
BENBENZAMIDINEA,B,C,D,E,F3B7J0.73
BENBENZAMIDINEB,Y2PKA0.73
BENBENZAMIDINEA2VJ00.73
BENBENZAMIDINEA3B3J0.73
BENBENZAMIDINEA,B,C,D,E,F3DOY0.73
BENBENZAMIDINEA,B,C,D,E,F3DP30.73
BENBENZAMIDINEA,B,C,D,E,F2GLM0.73
BENBENZAMIDINEA1ANB0.73
BENBENZAMIDINEA1LO60.73
BENBENZAMIDINEA1LR40.73
BENBENZAMIDINEA,B1V1M0.73
BENBENZAMIDINEA1ZHP0.73
BENBENZAMIDINEA2J9N0.73
BENBENZAMIDINEA2BMV0.73
BENBENZAMIDINEA,B2CKS0.73
BENBENZAMIDINEA2BLW0.73
BENBENZAMIDINEA1J160.73
BENBENZAMIDINEA,B1V110.73
BENBENZAMIDINEA,B,C,D,E,F3DP00.73
BENBENZAMIDINEB1RTF0.73
BENBENZAMIDINEA,B,C,D,E,F3DP10.73
BENBENZAMIDINEA,B,C,D2E580.73
BENBENZAMIDINEA2TRM0.73
BENBENZAMIDINET1V2V0.73
BENBENZAMIDINEA1MBQ0.73
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.73
BENBENZAMIDINEA2O8U0.73
BENBENZAMIDINEH1DWB0.73
BENBENZAMIDINEB,C2ASS0.73
BENBENZAMIDINEA1ANE0.73
BENBENZAMIDINEH,I2ZIQ0.73
BENBENZAMIDINEA1BIT0.73
BENBENZAMIDINEA2AIQ0.73
BENBENZAMIDINEA2OQ50.73
BENBENZAMIDINEA1ANC0.73
BENBENZAMIDINEH1JBU0.73
BENBENZAMIDINEA,B2BPQ0.73
BENBENZAMIDINEA,B,C,D2GNN0.73
BENBENZAMIDINET1V2S0.73
BENBENZAMIDINEA1H4W0.73
BENBENZAMIDINEA1OSS0.73
BENBENZAMIDINEA1W800.73
BENBENZAMIDINEA1BTY0.73
BENBENZAMIDINEH,I2ZFQ0.73
BENBENZAMIDINEA1EAX0.73
BENBENZAMIDINEA1L2E0.73
BENBENZAMIDINEA1WRI0.73
BENBENZAMIDINEA,B3BB80.73
BENBENZAMIDINEA2OXS0.73
BENBENZAMIDINEA1DPO0.73
BENBENZAMIDINET1V2L0.73
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.72
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
DPKDEPRENYLA,B2BYB0.73
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.79
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
BAMBENZAMIDINEU1F5K0.73
BAMBENZAMIDINEX2BY80.73
BAMBENZAMIDINEB2PSM0.73
BAMBENZAMIDINEX2BY90.73
BAMBENZAMIDINEA1C1N0.73
BAMBENZAMIDINEX2BY60.73
BAMBENZAMIDINEH,I1C5O0.73
BAMBENZAMIDINEA1XX40.73
BAMBENZAMIDINEA1HJ80.73
BAMBENZAMIDINEA1C5P0.73
BAMBENZAMIDINEB1C5Z0.73
BAMBENZAMIDINEA,B1ZVW0.73
BAMBENZAMIDINEA2ANW0.73
BAMBENZAMIDINEA2ANY0.73
BAMBENZAMIDINEX2BYA0.73
BAMBENZAMIDINEA1TIO0.73
BAMBENZAMIDINEX2BY50.73
BAMBENZAMIDINEX2BY70.73
A21(5S)-2-{[(1S)-1-(2-fluorophenyl)ethyl]amino}-
5-methyl-5-(trifluoromethyl)-1,3-
thiazol-4(5H)-one
A,B,C,D3BZU0.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.87
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.87
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.87
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.77
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.77
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.71
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
271N-methyl-1-phenylmethanamineX2RBT0.78