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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024718

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.74
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
I4BISOBUTYLBENZENEA184L0.77
DENINDENEA183L0.74
2HT3-methylbenzonitrileA,B3F880.85
MBNTOLUENEA,B3D7O0.77
MBNTOLUENEA,B1R1X0.77
MBNTOLUENEA,B1JLX0.77
MBNTOLUENEA,B,C,D3D170.77
MBNTOLUENEA,B2VRL0.77
MBNTOLUENEA,I2Z3E0.77
MBNTOLUENEA,B1YZI0.77
MBNTOLUENEA,B2DN10.77
MBNTOLUENEA,B3EN10.77
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
N4BN-BUTYLBENZENEA186L0.8
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.77
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
FPRPROPYLBENZENEC1RHK0.8
BDBA,B1KE30.71
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.78
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
NPYNAPHTHALENEA,B1O7G0.71