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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02805678

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.77
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.77
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.81
BRNBERENILA,B268D0.71
BRNBERENILA,B1D630.71
BRNBERENILA,D,E2GBY0.71
BRNBERENILA2DBE0.71
BRNBERENILA2GVR0.71
BZZBENZYLHYDRAZINEA,B2E2V0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.73
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.73
BENBENZAMIDINEA2TIO0.89
BENBENZAMIDINEA1J150.89
BENBENZAMIDINEA,B3BEU0.89
BENBENZAMIDINET1V2U0.89
BENBENZAMIDINEA,B,C,D,E,F3CF80.89
BENBENZAMIDINEA1S0R0.89
BENBENZAMIDINEA,B1V160.89
BENBENZAMIDINEA1CC70.89
BENBENZAMIDINEA3BG80.89
BENBENZAMIDINEA1CC80.89
BENBENZAMIDINEA3PTB0.89
BENBENZAMIDINEA,B1TRM0.89
BENBENZAMIDINEA1ZHR0.89
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.89
BENBENZAMIDINEA2BLV0.89
BENBENZAMIDINEA,B,C,D,E,F2GLP0.89
BENBENZAMIDINEH,I3D490.89
BENBENZAMIDINEH,L,T2AER0.89
BENBENZAMIDINEA1J140.89
BENBENZAMIDINEA1NSA0.89
BENBENZAMIDINEA2AYW0.89
BENBENZAMIDINEA1BRA0.89
BENBENZAMIDINEA,B,C,D1A0J0.89
BENBENZAMIDINEB,C,D2AST0.89
BENBENZAMIDINEA,B2CKR0.89
BENBENZAMIDINEA1LPU0.89
BENBENZAMIDINEA1ZHM0.89
BENBENZAMIDINEA1J8A0.89
BENBENZAMIDINEA,B3BCX0.89
BENBENZAMIDINEA,B,C,D,E,F3CF90.89
BENBENZAMIDINEA,B,C,D,E,F3D040.89
BENBENZAMIDINEA,B,C,D,E,F2GLL0.89
BENBENZAMIDINEA1AND0.89
BENBENZAMIDINEA2TBS0.89
BENBENZAMIDINEA,B,C,D,E,F3DP20.89
BENBENZAMIDINET1V2M0.89
BENBENZAMIDINEA2EEK0.89
BENBENZAMIDINEH,I2ZI20.89
BENBENZAMIDINET1V2J0.89
BENBENZAMIDINEH1KLI0.89
BENBENZAMIDINEA1CE50.89
BENBENZAMIDINEA,B,C,D,E,F3B7J0.89
BENBENZAMIDINEB,Y2PKA0.89
BENBENZAMIDINEA2VJ00.89
BENBENZAMIDINEA3B3J0.89
BENBENZAMIDINEA,B,C,D,E,F3DOY0.89
BENBENZAMIDINEA,B,C,D,E,F3DP30.89
BENBENZAMIDINEA,B,C,D,E,F2GLM0.89
BENBENZAMIDINEA1ANB0.89
BENBENZAMIDINEA1LO60.89
BENBENZAMIDINEA1LR40.89
BENBENZAMIDINEA,B1V1M0.89
BENBENZAMIDINEA1ZHP0.89
BENBENZAMIDINEA2J9N0.89
BENBENZAMIDINEA2BMV0.89
BENBENZAMIDINEA,B2CKS0.89
BENBENZAMIDINEA2BLW0.89
BENBENZAMIDINEA1J160.89
BENBENZAMIDINEA,B1V110.89
BENBENZAMIDINEA,B,C,D,E,F3DP00.89
BENBENZAMIDINEB1RTF0.89
BENBENZAMIDINEA,B,C,D,E,F3DP10.89
BENBENZAMIDINEA,B,C,D2E580.89
BENBENZAMIDINEA2TRM0.89
BENBENZAMIDINET1V2V0.89
BENBENZAMIDINEA1MBQ0.89
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.89
BENBENZAMIDINEA2O8U0.89
BENBENZAMIDINEH1DWB0.89
BENBENZAMIDINEB,C2ASS0.89
BENBENZAMIDINEA1ANE0.89
BENBENZAMIDINEH,I2ZIQ0.89
BENBENZAMIDINEA1BIT0.89
BENBENZAMIDINEA2AIQ0.89
BENBENZAMIDINEA2OQ50.89
BENBENZAMIDINEA1ANC0.89
BENBENZAMIDINEH1JBU0.89
BENBENZAMIDINEA,B2BPQ0.89
BENBENZAMIDINEA,B,C,D2GNN0.89
BENBENZAMIDINET1V2S0.89
BENBENZAMIDINEA1H4W0.89
BENBENZAMIDINEA1OSS0.89
BENBENZAMIDINEA1W800.89
BENBENZAMIDINEA1BTY0.89
BENBENZAMIDINEH,I2ZFQ0.89
BENBENZAMIDINEA1EAX0.89
BENBENZAMIDINEA1L2E0.89
BENBENZAMIDINEA1WRI0.89
BENBENZAMIDINEA,B3BB80.89
BENBENZAMIDINEA2OXS0.89
BENBENZAMIDINEA1DPO0.89
BENBENZAMIDINET1V2L0.89
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.71
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.71
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.76
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.8
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
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.75
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.76
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
BAMBENZAMIDINEU1F5K0.89
BAMBENZAMIDINEX2BY80.89
BAMBENZAMIDINEB2PSM0.89
BAMBENZAMIDINEX2BY90.89
BAMBENZAMIDINEA1C1N0.89
BAMBENZAMIDINEX2BY60.89
BAMBENZAMIDINEH,I1C5O0.89
BAMBENZAMIDINEA1XX40.89
BAMBENZAMIDINEA1HJ80.89
BAMBENZAMIDINEA1C5P0.89
BAMBENZAMIDINEB1C5Z0.89
BAMBENZAMIDINEA,B1ZVW0.89
BAMBENZAMIDINEA2ANW0.89
BAMBENZAMIDINEA2ANY0.89
BAMBENZAMIDINEX2BYA0.89
BAMBENZAMIDINEA1TIO0.89
BAMBENZAMIDINEX2BY50.89
BAMBENZAMIDINEX2BY70.89
271N-methyl-1-phenylmethanamineX2RBT0.72
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7