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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02347887

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA,B2P0M0.72
RS7(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACIDA1LOX0.72
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.76
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
I4BISOBUTYLBENZENEA184L0.78
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
N4BN-BUTYLBENZENEA186L0.8
VK3MENADIONEA1TUV0.71
VK3MENADIONEA,B2QR20.71
OXEORTHO-XYLENEA,B3E0X0.78
OXEORTHO-XYLENEA188L0.78
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
BDBA,B1KE30.72
DENINDENEA183L0.72
2HT3-methylbenzonitrileA,B3F880.7
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.7
FPRPROPYLBENZENEC1RHK0.8
BZQDIPHENYLMETHANONEA,B1GT50.74
BZQDIPHENYLMETHANONEA,B1DZP0.74
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
AC01-PHENYLETHANONEA1ZK10.79
AC01-PHENYLETHANONEA1ZK40.79
3PL3-PHENYLPROPANALE1Y3G0.77
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.71
HY1PHENYLACETALDEHYDED,H2I0S0.76
HY1PHENYLACETALDEHYDEA,B1D6Y0.76
HY1PHENYLACETALDEHYDEA,B1D6Z0.76
HY1PHENYLACETALDEHYDED,H2OK40.76
HY1PHENYLACETALDEHYDEA,B1D6U0.76
PXYPARA-XYLENEA187L0.8
PXYPARA-XYLENEA225L0.8
MBNTOLUENEA,B3D7O0.8
MBNTOLUENEA,B1R1X0.8
MBNTOLUENEA,B1JLX0.8
MBNTOLUENEA,B,C,D3D170.8
MBNTOLUENEA,B2VRL0.8
MBNTOLUENEA,I2Z3E0.8
MBNTOLUENEA,B1YZI0.8
MBNTOLUENEA,B2DN10.8
MBNTOLUENEA,B3EN10.8
1LPTRANYLCYPROMINEA,B1OJB0.74
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.73