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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372365

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.71
3PL3-PHENYLPROPANALE1Y3G0.81
NPYNAPHTHALENEA,B1O7G0.74
FPRPROPYLBENZENEC1RHK0.75
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
BDBA,B1KE30.78
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.83
HBXbenzaldehydeA,B3GDN0.76
I4BISOBUTYLBENZENEA184L0.75
HY1PHENYLACETALDEHYDED,H2I0S0.8
HY1PHENYLACETALDEHYDEA,B1D6Y0.8
HY1PHENYLACETALDEHYDEA,B1D6Z0.8
HY1PHENYLACETALDEHYDED,H2OK40.8
HY1PHENYLACETALDEHYDEA,B1D6U0.8
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
1LPTRANYLCYPROMINEA,B1OJB0.78
N4BN-BUTYLBENZENEA186L0.75
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.71
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.71
AN3ANTHRACENEA,B2HMN0.7
AN3ANTHRACENEA,B2HMM0.7
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
BZQDIPHENYLMETHANONEA,B1GT50.78
BZQDIPHENYLMETHANONEA,B1DZP0.78
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
GW5(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT-
1-ENYL]PHENYL}ACRYLIC ACID
A,B,C1R5K0.72
PEYPHENANTHRENEA,B2HML0.7
PEYPHENANTHRENEA,B2HMK0.7