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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02806283

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
U195-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG50.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.78
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.78
ISOPARA-ISOPROPYLANILINEA1BMA0.73
ISOPARA-ISOPROPYLANILINEA,B1ELC0.73
ISOPARA-ISOPROPYLANILINEA,B1ELB0.73
ISOPARA-ISOPROPYLANILINEA,B1ELA0.73
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.7
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.7
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.7
BZZBENZYLHYDRAZINEA,B2E2V0.73
34A3,4-DIMETHYLANILINEA1L4K0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
BAMBENZAMIDINEU1F5K0.94
BAMBENZAMIDINEX2BY80.94
BAMBENZAMIDINEB2PSM0.94
BAMBENZAMIDINEX2BY90.94
BAMBENZAMIDINEA1C1N0.94
BAMBENZAMIDINEX2BY60.94
BAMBENZAMIDINEH,I1C5O0.94
BAMBENZAMIDINEA1XX40.94
BAMBENZAMIDINEA1HJ80.94
BAMBENZAMIDINEA1C5P0.94
BAMBENZAMIDINEB1C5Z0.94
BAMBENZAMIDINEA,B1ZVW0.94
BAMBENZAMIDINEA2ANW0.94
BAMBENZAMIDINEA2ANY0.94
BAMBENZAMIDINEX2BYA0.94
BAMBENZAMIDINEA1TIO0.94
BAMBENZAMIDINEX2BY50.94
BAMBENZAMIDINEX2BY70.94
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.74
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
PRY2-PROPYL-ANILINEA1OWY0.73
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.7
XYD2,5-DIMETHYLANILINEA1L4L0.7
FPRPROPYLBENZENEC1RHK0.7
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.74
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.73
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
A,B1A5H0.75
BBA2,7-BIS-(4-AMIDINOBENZYLIDENE)-
CYCLOHEPTAN-1-ONE
T1V2N0.75
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B,D,E2G0E0.75
CGQ3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-
HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-
IMINOMETHYL]-BENZAMIDINIUM
A,B1M6F0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
U125-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-
5H-PYRAZOL-3-YLAMINE
A2GG20.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEH,I1C5N0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5R0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5Q0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1O5B0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5X0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5W0.7
IN4+/-METHYL 4-(AMINOIMINOMETHYL)-
BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE
A1AZ80.71
271N-methyl-1-phenylmethanamineX2RBT0.75
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.73
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
745TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE-
2-CARBOXAMIDINE
A1U6Q0.8
BENBENZAMIDINEA2TIO0.94
BENBENZAMIDINEA1J150.94
BENBENZAMIDINEA,B3BEU0.94
BENBENZAMIDINET1V2U0.94
BENBENZAMIDINEA,B,C,D,E,F3CF80.94
BENBENZAMIDINEA1S0R0.94
BENBENZAMIDINEA,B1V160.94
BENBENZAMIDINEA1CC70.94
BENBENZAMIDINEA3BG80.94
BENBENZAMIDINEA1CC80.94
BENBENZAMIDINEA3PTB0.94
BENBENZAMIDINEA,B1TRM0.94
BENBENZAMIDINEA1ZHR0.94
BENBENZAMIDINEA,B,C,D,E,F1NKZ0.94
BENBENZAMIDINEA2BLV0.94
BENBENZAMIDINEA,B,C,D,E,F2GLP0.94
BENBENZAMIDINEH,I3D490.94
BENBENZAMIDINEH,L,T2AER0.94
BENBENZAMIDINEA1J140.94
BENBENZAMIDINEA1NSA0.94
BENBENZAMIDINEA2AYW0.94
BENBENZAMIDINEA1BRA0.94
BENBENZAMIDINEA,B,C,D1A0J0.94
BENBENZAMIDINEB,C,D2AST0.94
BENBENZAMIDINEA,B2CKR0.94
BENBENZAMIDINEA1LPU0.94
BENBENZAMIDINEA1ZHM0.94
BENBENZAMIDINEA1J8A0.94
BENBENZAMIDINEA,B3BCX0.94
BENBENZAMIDINEA,B,C,D,E,F3CF90.94
BENBENZAMIDINEA,B,C,D,E,F3D040.94
BENBENZAMIDINEA,B,C,D,E,F2GLL0.94
BENBENZAMIDINEA1AND0.94
BENBENZAMIDINEA2TBS0.94
BENBENZAMIDINEA,B,C,D,E,F3DP20.94
BENBENZAMIDINET1V2M0.94
BENBENZAMIDINEA2EEK0.94
BENBENZAMIDINEH,I2ZI20.94
BENBENZAMIDINET1V2J0.94
BENBENZAMIDINEH1KLI0.94
BENBENZAMIDINEA1CE50.94
BENBENZAMIDINEA,B,C,D,E,F3B7J0.94
BENBENZAMIDINEB,Y2PKA0.94
BENBENZAMIDINEA2VJ00.94
BENBENZAMIDINEA3B3J0.94
BENBENZAMIDINEA,B,C,D,E,F3DOY0.94
BENBENZAMIDINEA,B,C,D,E,F3DP30.94
BENBENZAMIDINEA,B,C,D,E,F2GLM0.94
BENBENZAMIDINEA1ANB0.94
BENBENZAMIDINEA1LO60.94
BENBENZAMIDINEA1LR40.94
BENBENZAMIDINEA,B1V1M0.94
BENBENZAMIDINEA1ZHP0.94
BENBENZAMIDINEA2J9N0.94
BENBENZAMIDINEA2BMV0.94
BENBENZAMIDINEA,B2CKS0.94
BENBENZAMIDINEA2BLW0.94
BENBENZAMIDINEA1J160.94
BENBENZAMIDINEA,B1V110.94
BENBENZAMIDINEA,B,C,D,E,F3DP00.94
BENBENZAMIDINEB1RTF0.94
BENBENZAMIDINEA,B,C,D,E,F3DP10.94
BENBENZAMIDINEA,B,C,D2E580.94
BENBENZAMIDINEA2TRM0.94
BENBENZAMIDINET1V2V0.94
BENBENZAMIDINEA1MBQ0.94
BENBENZAMIDINEA,B,C,D,E,F3DOZ0.94
BENBENZAMIDINEA2O8U0.94
BENBENZAMIDINEH1DWB0.94
BENBENZAMIDINEB,C2ASS0.94
BENBENZAMIDINEA1ANE0.94
BENBENZAMIDINEH,I2ZIQ0.94
BENBENZAMIDINEA1BIT0.94
BENBENZAMIDINEA2AIQ0.94
BENBENZAMIDINEA2OQ50.94
BENBENZAMIDINEA1ANC0.94
BENBENZAMIDINEH1JBU0.94
BENBENZAMIDINEA,B2BPQ0.94
BENBENZAMIDINEA,B,C,D2GNN0.94
BENBENZAMIDINET1V2S0.94
BENBENZAMIDINEA1H4W0.94
BENBENZAMIDINEA1OSS0.94
BENBENZAMIDINEA1W800.94
BENBENZAMIDINEA1BTY0.94
BENBENZAMIDINEH,I2ZFQ0.94
BENBENZAMIDINEA1EAX0.94
BENBENZAMIDINEA1L2E0.94
BENBENZAMIDINEA1WRI0.94
BENBENZAMIDINEA,B3BB80.94
BENBENZAMIDINEA2OXS0.94
BENBENZAMIDINEA1DPO0.94
BENBENZAMIDINET1V2L0.94
PBZP-AMINO BENZAMIDINEA,B2BDG0.81
PBZP-AMINO BENZAMIDINEA1RFN0.81
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.81
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.81
PBZP-AMINO BENZAMIDINEA1FIZ0.81
PBZP-AMINO BENZAMIDINEA1FIW0.81
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.81
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
DPKDEPRENYLA,B2BYB0.7
BRNBERENILA,B268D0.74
BRNBERENILA,B1D630.74
BRNBERENILA,D,E2GBY0.74
BRNBERENILA2DBE0.74
BRNBERENILA2GVR0.74
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
L134-AMINO-5-(2-METHYLPHENYL)-2,4-
DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
A2HB90.76
4CM(4-CARBAMIMIDOYLPHENYL)-METHYL-
PHOSPHINIC ACID
A1TX70.85
N4BN-BUTYLBENZENEA186L0.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.78