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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03379846

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TLD4-methylbenzene-1,2-dithiolA2Z940.75
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.7
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.7
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.77
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
I4BISOBUTYLBENZENEA184L0.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.72
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
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
N4BN-BUTYLBENZENEA186L0.77
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
NPYNAPHTHALENEA,B1O7G0.71