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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051094

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.71
FPRPROPYLBENZENEC1RHK0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
I4BISOBUTYLBENZENEA184L0.74
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
N4BN-BUTYLBENZENEA186L0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.71
OXEORTHO-XYLENEA,B3E0X0.71
OXEORTHO-XYLENEA188L0.71
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.72
2HT3-methylbenzonitrileA,B3F880.87
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71