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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02498100

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
AC01-PHENYLETHANONEA1ZK10.78
AC01-PHENYLETHANONEA1ZK40.78
1LPTRANYLCYPROMINEA,B1OJB0.81
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.76
HBXbenzaldehydeA,B3GDN0.83
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
VK3MENADIONEA1TUV0.71
VK3MENADIONEA,B2QR20.71
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.75
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.76
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.76
FPRPROPYLBENZENEC1RHK0.77
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.71
I4BISOBUTYLBENZENEA184L0.75
MBNTOLUENEA,B3D7O0.76
MBNTOLUENEA,B1R1X0.76
MBNTOLUENEA,B1JLX0.76
MBNTOLUENEA,B,C,D3D170.76
MBNTOLUENEA,B2VRL0.76
MBNTOLUENEA,I2Z3E0.76
MBNTOLUENEA,B1YZI0.76
MBNTOLUENEA,B2DN10.76
MBNTOLUENEA,B3EN10.76
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.71
HY1PHENYLACETALDEHYDED,H2I0S0.82
HY1PHENYLACETALDEHYDEA,B1D6Y0.82
HY1PHENYLACETALDEHYDEA,B1D6Z0.82
HY1PHENYLACETALDEHYDED,H2OK40.82
HY1PHENYLACETALDEHYDEA,B1D6U0.82
BZQDIPHENYLMETHANONEA,B1GT50.73
BZQDIPHENYLMETHANONEA,B1DZP0.73
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
N4BN-BUTYLBENZENEA186L0.77
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
3PL3-PHENYLPROPANALE1Y3G0.84
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7