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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02318426

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BAMBENZAMIDINEU1F5K0.81
BAMBENZAMIDINEX2BY80.81
BAMBENZAMIDINEB2PSM0.81
BAMBENZAMIDINEX2BY90.81
BAMBENZAMIDINEA1C1N0.81
BAMBENZAMIDINEX2BY60.81
BAMBENZAMIDINEH,I1C5O0.81
BAMBENZAMIDINEA1XX40.81
BAMBENZAMIDINEA1HJ80.81
BAMBENZAMIDINEA1C5P0.81
BAMBENZAMIDINEB1C5Z0.81
BAMBENZAMIDINEA,B1ZVW0.81
BAMBENZAMIDINEA2ANW0.81
BAMBENZAMIDINEA2ANY0.81
BAMBENZAMIDINEX2BYA0.81
BAMBENZAMIDINEA1TIO0.81
BAMBENZAMIDINEX2BY50.81
BAMBENZAMIDINEX2BY70.81
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.74
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.74
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.7
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
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.73
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.72
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
BNFN-BENZYLFORMAMIDEA,B1U3U0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.74
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.72
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
27UN-(4-carbamimidoylbenzyl)-1-(3-
phenylpropanoyl)-L-prolinamide
H,I2ZHQ0.71
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZHD0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHW0.73
12UN-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
A2ZFS0.73
PBZP-AMINO BENZAMIDINEA,B2BDG0.73
PBZP-AMINO BENZAMIDINEA1RFN0.73
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.73
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.73
PBZP-AMINO BENZAMIDINEA1FIZ0.73
PBZP-AMINO BENZAMIDINEA1FIW0.73
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.73
13UN-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZHE0.72
271N-methyl-1-phenylmethanamineX2RBT0.81
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.72
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
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
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
A2ZFT0.73
10U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclopentylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIU0.73
BENBENZAMIDINEA2TIO0.81
BENBENZAMIDINEA1J150.81
BENBENZAMIDINEA,B3BEU0.81
BENBENZAMIDINET1V2U0.81
BENBENZAMIDINEA,B,C,D,E,F3CF80.81
BENBENZAMIDINEA1S0R0.81
BENBENZAMIDINEA,B1V160.81
BENBENZAMIDINEA1CC70.81
BENBENZAMIDINEA3BG80.81
BENBENZAMIDINEA1CC80.81
BENBENZAMIDINEA3PTB0.81
BENBENZAMIDINEA,B1TRM0.81
BENBENZAMIDINEA1ZHR0.81
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.81
BENBENZAMIDINEA2BLV0.81
BENBENZAMIDINEA,B,C,D,E,F2GLP0.81
BENBENZAMIDINEH,I3D490.81
BENBENZAMIDINEH,L,T2AER0.81
BENBENZAMIDINEA1J140.81
BENBENZAMIDINEA1NSA0.81
BENBENZAMIDINEA2AYW0.81
BENBENZAMIDINEA1BRA0.81
BENBENZAMIDINEA,B,C,D1A0J0.81
BENBENZAMIDINEB,C,D2AST0.81
BENBENZAMIDINEA,B2CKR0.81
BENBENZAMIDINEA1LPU0.81
BENBENZAMIDINEA1ZHM0.81
BENBENZAMIDINEA1J8A0.81
BENBENZAMIDINEA,B3BCX0.81
BENBENZAMIDINEA,B,C,D,E,F3CF90.81
BENBENZAMIDINEA,B,C,D,E,F3D040.81
BENBENZAMIDINEA,B,C,D,E,F2GLL0.81
BENBENZAMIDINEA1AND0.81
BENBENZAMIDINEA2TBS0.81
BENBENZAMIDINEA,B,C,D,E,F3DP20.81
BENBENZAMIDINET1V2M0.81
BENBENZAMIDINEA2EEK0.81
BENBENZAMIDINEH,I2ZI20.81
BENBENZAMIDINET1V2J0.81
BENBENZAMIDINEH1KLI0.81
BENBENZAMIDINEA1CE50.81
BENBENZAMIDINEA,B,C,D,E,F3B7J0.81
BENBENZAMIDINEB,Y2PKA0.81
BENBENZAMIDINEA2VJ00.81
BENBENZAMIDINEA3B3J0.81
BENBENZAMIDINEA,B,C,D,E,F3DOY0.81
BENBENZAMIDINEA,B,C,D,E,F3DP30.81
BENBENZAMIDINEA,B,C,D,E,F2GLM0.81
BENBENZAMIDINEA1ANB0.81
BENBENZAMIDINEA1LO60.81
BENBENZAMIDINEA1LR40.81
BENBENZAMIDINEA,B1V1M0.81
BENBENZAMIDINEA1ZHP0.81
BENBENZAMIDINEA2J9N0.81
BENBENZAMIDINEA2BMV0.81
BENBENZAMIDINEA,B2CKS0.81
BENBENZAMIDINEA2BLW0.81
BENBENZAMIDINEA1J160.81
BENBENZAMIDINEA,B1V110.81
BENBENZAMIDINEA,B,C,D,E,F3DP00.81
BENBENZAMIDINEB1RTF0.81
BENBENZAMIDINEA,B,C,D,E,F3DP10.81
BENBENZAMIDINEA,B,C,D2E580.81
BENBENZAMIDINEA2TRM0.81
BENBENZAMIDINET1V2V0.81
BENBENZAMIDINEA1MBQ0.81
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.81
BENBENZAMIDINEA2O8U0.81
BENBENZAMIDINEH1DWB0.81
BENBENZAMIDINEB,C2ASS0.81
BENBENZAMIDINEA1ANE0.81
BENBENZAMIDINEH,I2ZIQ0.81
BENBENZAMIDINEA1BIT0.81
BENBENZAMIDINEA2AIQ0.81
BENBENZAMIDINEA2OQ50.81
BENBENZAMIDINEA1ANC0.81
BENBENZAMIDINEH1JBU0.81
BENBENZAMIDINEA,B2BPQ0.81
BENBENZAMIDINEA,B,C,D2GNN0.81
BENBENZAMIDINET1V2S0.81
BENBENZAMIDINEA1H4W0.81
BENBENZAMIDINEA1OSS0.81
BENBENZAMIDINEA1W800.81
BENBENZAMIDINEA1BTY0.81
BENBENZAMIDINEH,I2ZFQ0.81
BENBENZAMIDINEA1EAX0.81
BENBENZAMIDINEA1L2E0.81
BENBENZAMIDINEA1WRI0.81
BENBENZAMIDINEA,B3BB80.81
BENBENZAMIDINEA2OXS0.81
BENBENZAMIDINEA1DPO0.81
BENBENZAMIDINET1V2L0.81
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDK0.7
50U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclohexylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZG00.7
DPKDEPRENYLA,B2BYB0.74
32UD-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-
L-prolinamide
H,I2ZDA0.71
11U(S)-N-(4-carbamimidoylbenzyl)-1-
(2-(cyclohexylamino)ethanoyl)pyrrolidine-
2-carboxamide
H,I3BIV0.73
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
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
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.7
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.8
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.72
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.79
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
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.75
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.75
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
A2ZDN0.71
49U(S)-N-(4-carbamimidoylbenzyl)-1-
(3-cyclopentylpropanoyl)pyrrolidine-
2-carboxamide
H,I2ZHF0.71
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.75
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.72