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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02806281

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
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
FPRPROPYLBENZENEC1RHK0.73
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.8
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.8
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.72
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.72
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.7
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.7
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.73
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.79
PBN4-PHENYLBUTYLAMINEA1UTP0.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.78
B2FPHENYLALANINE BORONIC ACIDA,P1P060.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.78
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.78
PRA3-PHENYLPROPYLAMINEA1TNK0.79
PRA3-PHENYLPROPYLAMINEM1UTL0.79
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.77
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.77
PRY2-PROPYL-ANILINEA1OWY0.72
DPKDEPRENYLA,B2BYB0.71
BENBENZAMIDINEA2TIO0.85
BENBENZAMIDINEA1J150.85
BENBENZAMIDINEA,B3BEU0.85
BENBENZAMIDINET1V2U0.85
BENBENZAMIDINEA,B,C,D,E,F3CF80.85
BENBENZAMIDINEA1S0R0.85
BENBENZAMIDINEA,B1V160.85
BENBENZAMIDINEA1CC70.85
BENBENZAMIDINEA3BG80.85
BENBENZAMIDINEA1CC80.85
BENBENZAMIDINEA3PTB0.85
BENBENZAMIDINEA,B1TRM0.85
BENBENZAMIDINEA1ZHR0.85
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.85
BENBENZAMIDINEA2BLV0.85
BENBENZAMIDINEA,B,C,D,E,F2GLP0.85
BENBENZAMIDINEH,I3D490.85
BENBENZAMIDINEH,L,T2AER0.85
BENBENZAMIDINEA1J140.85
BENBENZAMIDINEA1NSA0.85
BENBENZAMIDINEA2AYW0.85
BENBENZAMIDINEA1BRA0.85
BENBENZAMIDINEA,B,C,D1A0J0.85
BENBENZAMIDINEB,C,D2AST0.85
BENBENZAMIDINEA,B2CKR0.85
BENBENZAMIDINEA1LPU0.85
BENBENZAMIDINEA1ZHM0.85
BENBENZAMIDINEA1J8A0.85
BENBENZAMIDINEA,B3BCX0.85
BENBENZAMIDINEA,B,C,D,E,F3CF90.85
BENBENZAMIDINEA,B,C,D,E,F3D040.85
BENBENZAMIDINEA,B,C,D,E,F2GLL0.85
BENBENZAMIDINEA1AND0.85
BENBENZAMIDINEA2TBS0.85
BENBENZAMIDINEA,B,C,D,E,F3DP20.85
BENBENZAMIDINET1V2M0.85
BENBENZAMIDINEA2EEK0.85
BENBENZAMIDINEH,I2ZI20.85
BENBENZAMIDINET1V2J0.85
BENBENZAMIDINEH1KLI0.85
BENBENZAMIDINEA1CE50.85
BENBENZAMIDINEA,B,C,D,E,F3B7J0.85
BENBENZAMIDINEB,Y2PKA0.85
BENBENZAMIDINEA2VJ00.85
BENBENZAMIDINEA3B3J0.85
BENBENZAMIDINEA,B,C,D,E,F3DOY0.85
BENBENZAMIDINEA,B,C,D,E,F3DP30.85
BENBENZAMIDINEA,B,C,D,E,F2GLM0.85
BENBENZAMIDINEA1ANB0.85
BENBENZAMIDINEA1LO60.85
BENBENZAMIDINEA1LR40.85
BENBENZAMIDINEA,B1V1M0.85
BENBENZAMIDINEA1ZHP0.85
BENBENZAMIDINEA2J9N0.85
BENBENZAMIDINEA2BMV0.85
BENBENZAMIDINEA,B2CKS0.85
BENBENZAMIDINEA2BLW0.85
BENBENZAMIDINEA1J160.85
BENBENZAMIDINEA,B1V110.85
BENBENZAMIDINEA,B,C,D,E,F3DP00.85
BENBENZAMIDINEB1RTF0.85
BENBENZAMIDINEA,B,C,D,E,F3DP10.85
BENBENZAMIDINEA,B,C,D2E580.85
BENBENZAMIDINEA2TRM0.85
BENBENZAMIDINET1V2V0.85
BENBENZAMIDINEA1MBQ0.85
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.85
BENBENZAMIDINEA2O8U0.85
BENBENZAMIDINEH1DWB0.85
BENBENZAMIDINEB,C2ASS0.85
BENBENZAMIDINEA1ANE0.85
BENBENZAMIDINEH,I2ZIQ0.85
BENBENZAMIDINEA1BIT0.85
BENBENZAMIDINEA2AIQ0.85
BENBENZAMIDINEA2OQ50.85
BENBENZAMIDINEA1ANC0.85
BENBENZAMIDINEH1JBU0.85
BENBENZAMIDINEA,B2BPQ0.85
BENBENZAMIDINEA,B,C,D2GNN0.85
BENBENZAMIDINET1V2S0.85
BENBENZAMIDINEA1H4W0.85
BENBENZAMIDINEA1OSS0.85
BENBENZAMIDINEA1W800.85
BENBENZAMIDINEA1BTY0.85
BENBENZAMIDINEH,I2ZFQ0.85
BENBENZAMIDINEA1EAX0.85
BENBENZAMIDINEA1L2E0.85
BENBENZAMIDINEA1WRI0.85
BENBENZAMIDINEA,B3BB80.85
BENBENZAMIDINEA2OXS0.85
BENBENZAMIDINEA1DPO0.85
BENBENZAMIDINET1V2L0.85
PXYPARA-XYLENEA187L0.73
PXYPARA-XYLENEA225L0.73
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.71
I4BISOBUTYLBENZENEA184L0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.8
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.8
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
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
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.78
N4BN-BUTYLBENZENEA186L0.73
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.72
BAMBENZAMIDINEU1F5K0.85
BAMBENZAMIDINEX2BY80.85
BAMBENZAMIDINEB2PSM0.85
BAMBENZAMIDINEX2BY90.85
BAMBENZAMIDINEA1C1N0.85
BAMBENZAMIDINEX2BY60.85
BAMBENZAMIDINEH,I1C5O0.85
BAMBENZAMIDINEA1XX40.85
BAMBENZAMIDINEA1HJ80.85
BAMBENZAMIDINEA1C5P0.85
BAMBENZAMIDINEB1C5Z0.85
BAMBENZAMIDINEA,B1ZVW0.85
BAMBENZAMIDINEA2ANW0.85
BAMBENZAMIDINEA2ANY0.85
BAMBENZAMIDINEX2BYA0.85
BAMBENZAMIDINEA1TIO0.85
BAMBENZAMIDINEX2BY50.85
BAMBENZAMIDINEX2BY70.85
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
271N-methyl-1-phenylmethanamineX2RBT0.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.71
ISOPARA-ISOPROPYLANILINEA,B1ELC0.71
ISOPARA-ISOPROPYLANILINEA,B1ELB0.71
ISOPARA-ISOPROPYLANILINEA,B1ELA0.71
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
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.81
PEA2-PHENYLETHYLAMINEA1TNJ0.81
PEA2-PHENYLETHYLAMINED,H2HKM0.81
PEA2-PHENYLETHYLAMINEA1UTO0.81
PEA2-PHENYLETHYLAMINEA,B1D6Y0.81
PEA2-PHENYLETHYLAMINEA,B1D6Z0.81
PEA2-PHENYLETHYLAMINEA,B1D6U0.81
PEA2-PHENYLETHYLAMINEA1UTM0.81