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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01086486

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAMBENZAMIDINEU1F5K0.87
BAMBENZAMIDINEX2BY80.87
BAMBENZAMIDINEB2PSM0.87
BAMBENZAMIDINEX2BY90.87
BAMBENZAMIDINEA1C1N0.87
BAMBENZAMIDINEX2BY60.87
BAMBENZAMIDINEH,I1C5O0.87
BAMBENZAMIDINEA1XX40.87
BAMBENZAMIDINEA1HJ80.87
BAMBENZAMIDINEA1C5P0.87
BAMBENZAMIDINEB1C5Z0.87
BAMBENZAMIDINEA,B1ZVW0.87
BAMBENZAMIDINEA2ANW0.87
BAMBENZAMIDINEA2ANY0.87
BAMBENZAMIDINEX2BYA0.87
BAMBENZAMIDINEA1TIO0.87
BAMBENZAMIDINEX2BY50.87
BAMBENZAMIDINEX2BY70.87
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.7
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.7
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.7
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.7
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.72
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.71
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
DPKDEPRENYLA,B2BYB0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
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
ABNBENZYLAMINED,H2HXC0.76
ABNBENZYLAMINEA,I1A860.76
ABNBENZYLAMINEA1UTN0.76
ABNBENZYLAMINEA1N6X0.76
ABNBENZYLAMINEA2BZA0.76
ABNBENZYLAMINEA2EUS0.76
ABNBENZYLAMINEA1N6Y0.76
ABNBENZYLAMINEA1UTJ0.76
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.71
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.71
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.73
BNFN-BENZYLFORMAMIDEA,B1U3U0.77
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.8
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.72
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.73
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.73
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.72
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.74
FBA4-FLUOROBENZYLAMINEA1TNH0.74
BZZBENZYLHYDRAZINEA,B2E2V0.72
BENBENZAMIDINEA2TIO0.87
BENBENZAMIDINEA1J150.87
BENBENZAMIDINEA,B3BEU0.87
BENBENZAMIDINET1V2U0.87
BENBENZAMIDINEA,B,C,D,E,F3CF80.87
BENBENZAMIDINEA1S0R0.87
BENBENZAMIDINEA,B1V160.87
BENBENZAMIDINEA1CC70.87
BENBENZAMIDINEA3BG80.87
BENBENZAMIDINEA1CC80.87
BENBENZAMIDINEA3PTB0.87
BENBENZAMIDINEA,B1TRM0.87
BENBENZAMIDINEA1ZHR0.87
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.87
BENBENZAMIDINEA2BLV0.87
BENBENZAMIDINEA,B,C,D,E,F2GLP0.87
BENBENZAMIDINEH,I3D490.87
BENBENZAMIDINEH,L,T2AER0.87
BENBENZAMIDINEA1J140.87
BENBENZAMIDINEA1NSA0.87
BENBENZAMIDINEA2AYW0.87
BENBENZAMIDINEA1BRA0.87
BENBENZAMIDINEA,B,C,D1A0J0.87
BENBENZAMIDINEB,C,D2AST0.87
BENBENZAMIDINEA,B2CKR0.87
BENBENZAMIDINEA1LPU0.87
BENBENZAMIDINEA1ZHM0.87
BENBENZAMIDINEA1J8A0.87
BENBENZAMIDINEA,B3BCX0.87
BENBENZAMIDINEA,B,C,D,E,F3CF90.87
BENBENZAMIDINEA,B,C,D,E,F3D040.87
BENBENZAMIDINEA,B,C,D,E,F2GLL0.87
BENBENZAMIDINEA1AND0.87
BENBENZAMIDINEA2TBS0.87
BENBENZAMIDINEA,B,C,D,E,F3DP20.87
BENBENZAMIDINET1V2M0.87
BENBENZAMIDINEA2EEK0.87
BENBENZAMIDINEH,I2ZI20.87
BENBENZAMIDINET1V2J0.87
BENBENZAMIDINEH1KLI0.87
BENBENZAMIDINEA1CE50.87
BENBENZAMIDINEA,B,C,D,E,F3B7J0.87
BENBENZAMIDINEB,Y2PKA0.87
BENBENZAMIDINEA2VJ00.87
BENBENZAMIDINEA3B3J0.87
BENBENZAMIDINEA,B,C,D,E,F3DOY0.87
BENBENZAMIDINEA,B,C,D,E,F3DP30.87
BENBENZAMIDINEA,B,C,D,E,F2GLM0.87
BENBENZAMIDINEA1ANB0.87
BENBENZAMIDINEA1LO60.87
BENBENZAMIDINEA1LR40.87
BENBENZAMIDINEA,B1V1M0.87
BENBENZAMIDINEA1ZHP0.87
BENBENZAMIDINEA2J9N0.87
BENBENZAMIDINEA2BMV0.87
BENBENZAMIDINEA,B2CKS0.87
BENBENZAMIDINEA2BLW0.87
BENBENZAMIDINEA1J160.87
BENBENZAMIDINEA,B1V110.87
BENBENZAMIDINEA,B,C,D,E,F3DP00.87
BENBENZAMIDINEB1RTF0.87
BENBENZAMIDINEA,B,C,D,E,F3DP10.87
BENBENZAMIDINEA,B,C,D2E580.87
BENBENZAMIDINEA2TRM0.87
BENBENZAMIDINET1V2V0.87
BENBENZAMIDINEA1MBQ0.87
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.87
BENBENZAMIDINEA2O8U0.87
BENBENZAMIDINEH1DWB0.87
BENBENZAMIDINEB,C2ASS0.87
BENBENZAMIDINEA1ANE0.87
BENBENZAMIDINEH,I2ZIQ0.87
BENBENZAMIDINEA1BIT0.87
BENBENZAMIDINEA2AIQ0.87
BENBENZAMIDINEA2OQ50.87
BENBENZAMIDINEA1ANC0.87
BENBENZAMIDINEH1JBU0.87
BENBENZAMIDINEA,B2BPQ0.87
BENBENZAMIDINEA,B,C,D2GNN0.87
BENBENZAMIDINET1V2S0.87
BENBENZAMIDINEA1H4W0.87
BENBENZAMIDINEA1OSS0.87
BENBENZAMIDINEA1W800.87
BENBENZAMIDINEA1BTY0.87
BENBENZAMIDINEH,I2ZFQ0.87
BENBENZAMIDINEA1EAX0.87
BENBENZAMIDINEA1L2E0.87
BENBENZAMIDINEA1WRI0.87
BENBENZAMIDINEA,B3BB80.87
BENBENZAMIDINEA2OXS0.87
BENBENZAMIDINEA1DPO0.87
BENBENZAMIDINET1V2L0.87
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.73
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.73
PBZP-AMINO BENZAMIDINEA,B2BDG0.76
PBZP-AMINO BENZAMIDINEA1RFN0.76
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.76
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.76
PBZP-AMINO BENZAMIDINEA1FIZ0.76
PBZP-AMINO BENZAMIDINEA1FIW0.76
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.76
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.71
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.71
271N-methyl-1-phenylmethanamineX2RBT0.85
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.71
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.88
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.88
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.88
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.73
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74