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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02231311

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BNFN-BENZYLFORMAMIDEA,B1U3U0.75
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.77
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.77
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS70.7
D7PD-PHENYLALANYL-N~5~-[(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-
D-ORNITHINAMIDE
A,B1RS90.7
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.71
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.71
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.71
NFAPHENYLALANINE AMIDEA2A4O0.71
NFAPHENYLALANINE AMIDEA,B1XAE0.71
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.71
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.71
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.79
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.84
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.84
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.72
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.7
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.7
PRA3-PHENYLPROPYLAMINEA1TNK0.82
PRA3-PHENYLPROPYLAMINEM1UTL0.82
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.76
PBN4-PHENYLBUTYLAMINEA1TNI0.82
PBN4-PHENYLBUTYLAMINEA1UTP0.82
271N-methyl-1-phenylmethanamineX2RBT0.81
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.72
BENBENZAMIDINEA2TIO0.74
BENBENZAMIDINEA1J150.74
BENBENZAMIDINEA,B3BEU0.74
BENBENZAMIDINET1V2U0.74
BENBENZAMIDINEA,B,C,D,E,F3CF80.74
BENBENZAMIDINEA1S0R0.74
BENBENZAMIDINEA,B1V160.74
BENBENZAMIDINEA1CC70.74
BENBENZAMIDINEA3BG80.74
BENBENZAMIDINEA1CC80.74
BENBENZAMIDINEA3PTB0.74
BENBENZAMIDINEA,B1TRM0.74
BENBENZAMIDINEA1ZHR0.74
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.74
BENBENZAMIDINEA2BLV0.74
BENBENZAMIDINEA,B,C,D,E,F2GLP0.74
BENBENZAMIDINEH,I3D490.74
BENBENZAMIDINEH,L,T2AER0.74
BENBENZAMIDINEA1J140.74
BENBENZAMIDINEA1NSA0.74
BENBENZAMIDINEA2AYW0.74
BENBENZAMIDINEA1BRA0.74
BENBENZAMIDINEA,B,C,D1A0J0.74
BENBENZAMIDINEB,C,D2AST0.74
BENBENZAMIDINEA,B2CKR0.74
BENBENZAMIDINEA1LPU0.74
BENBENZAMIDINEA1ZHM0.74
BENBENZAMIDINEA1J8A0.74
BENBENZAMIDINEA,B3BCX0.74
BENBENZAMIDINEA,B,C,D,E,F3CF90.74
BENBENZAMIDINEA,B,C,D,E,F3D040.74
BENBENZAMIDINEA,B,C,D,E,F2GLL0.74
BENBENZAMIDINEA1AND0.74
BENBENZAMIDINEA2TBS0.74
BENBENZAMIDINEA,B,C,D,E,F3DP20.74
BENBENZAMIDINET1V2M0.74
BENBENZAMIDINEA2EEK0.74
BENBENZAMIDINEH,I2ZI20.74
BENBENZAMIDINET1V2J0.74
BENBENZAMIDINEH1KLI0.74
BENBENZAMIDINEA1CE50.74
BENBENZAMIDINEA,B,C,D,E,F3B7J0.74
BENBENZAMIDINEB,Y2PKA0.74
BENBENZAMIDINEA2VJ00.74
BENBENZAMIDINEA3B3J0.74
BENBENZAMIDINEA,B,C,D,E,F3DOY0.74
BENBENZAMIDINEA,B,C,D,E,F3DP30.74
BENBENZAMIDINEA,B,C,D,E,F2GLM0.74
BENBENZAMIDINEA1ANB0.74
BENBENZAMIDINEA1LO60.74
BENBENZAMIDINEA1LR40.74
BENBENZAMIDINEA,B1V1M0.74
BENBENZAMIDINEA1ZHP0.74
BENBENZAMIDINEA2J9N0.74
BENBENZAMIDINEA2BMV0.74
BENBENZAMIDINEA,B2CKS0.74
BENBENZAMIDINEA2BLW0.74
BENBENZAMIDINEA1J160.74
BENBENZAMIDINEA,B1V110.74
BENBENZAMIDINEA,B,C,D,E,F3DP00.74
BENBENZAMIDINEB1RTF0.74
BENBENZAMIDINEA,B,C,D,E,F3DP10.74
BENBENZAMIDINEA,B,C,D2E580.74
BENBENZAMIDINEA2TRM0.74
BENBENZAMIDINET1V2V0.74
BENBENZAMIDINEA1MBQ0.74
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.74
BENBENZAMIDINEA2O8U0.74
BENBENZAMIDINEH1DWB0.74
BENBENZAMIDINEB,C2ASS0.74
BENBENZAMIDINEA1ANE0.74
BENBENZAMIDINEH,I2ZIQ0.74
BENBENZAMIDINEA1BIT0.74
BENBENZAMIDINEA2AIQ0.74
BENBENZAMIDINEA2OQ50.74
BENBENZAMIDINEA1ANC0.74
BENBENZAMIDINEH1JBU0.74
BENBENZAMIDINEA,B2BPQ0.74
BENBENZAMIDINEA,B,C,D2GNN0.74
BENBENZAMIDINET1V2S0.74
BENBENZAMIDINEA1H4W0.74
BENBENZAMIDINEA1OSS0.74
BENBENZAMIDINEA1W800.74
BENBENZAMIDINEA1BTY0.74
BENBENZAMIDINEH,I2ZFQ0.74
BENBENZAMIDINEA1EAX0.74
BENBENZAMIDINEA1L2E0.74
BENBENZAMIDINEA1WRI0.74
BENBENZAMIDINEA,B3BB80.74
BENBENZAMIDINEA2OXS0.74
BENBENZAMIDINEA1DPO0.74
BENBENZAMIDINET1V2L0.74
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.73
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.73
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.74
FBA4-FLUOROBENZYLAMINEA1TNH0.74
BZZBENZYLHYDRAZINEA,B2E2V0.72
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.77
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.83
PEA2-PHENYLETHYLAMINEA1TNJ0.83
PEA2-PHENYLETHYLAMINED,H2HKM0.83
PEA2-PHENYLETHYLAMINEA1UTO0.83
PEA2-PHENYLETHYLAMINEA,B1D6Y0.83
PEA2-PHENYLETHYLAMINEA,B1D6Z0.83
PEA2-PHENYLETHYLAMINEA,B1D6U0.83
PEA2-PHENYLETHYLAMINEA1UTM0.83
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.74
CPUA,B1CR60.8
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.73
DPKDEPRENYLA,B2BYB0.75
V152-AMINO-6-(2-PHENYLETHYL)PYRIMIDIN-
4(3H)-ONE
A2V000.72
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.71
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.73
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.73
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.81
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.81
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.76
HDB(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
A1ZMJ0.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
BAMBENZAMIDINEU1F5K0.74
BAMBENZAMIDINEX2BY80.74
BAMBENZAMIDINEB2PSM0.74
BAMBENZAMIDINEX2BY90.74
BAMBENZAMIDINEA1C1N0.74
BAMBENZAMIDINEX2BY60.74
BAMBENZAMIDINEH,I1C5O0.74
BAMBENZAMIDINEA1XX40.74
BAMBENZAMIDINEA1HJ80.74
BAMBENZAMIDINEA1C5P0.74
BAMBENZAMIDINEB1C5Z0.74
BAMBENZAMIDINEA,B1ZVW0.74
BAMBENZAMIDINEA2ANW0.74
BAMBENZAMIDINEA2ANY0.74
BAMBENZAMIDINEX2BYA0.74
BAMBENZAMIDINEA1TIO0.74
BAMBENZAMIDINEX2BY50.74
BAMBENZAMIDINEX2BY70.74
ABNBENZYLAMINED,H2HXC0.77
ABNBENZYLAMINEA,I1A860.77
ABNBENZYLAMINEA1UTN0.77
ABNBENZYLAMINEA1N6X0.77
ABNBENZYLAMINEA2BZA0.77
ABNBENZYLAMINEA2EUS0.77
ABNBENZYLAMINEA1N6Y0.77
ABNBENZYLAMINEA1UTJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.8
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.8
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.8
B2FPHENYLALANINE BORONIC ACIDA,P1P060.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.8
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.8