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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00691529

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DENINDENEA183L0.73
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
TLD4-methylbenzene-1,2-dithiolA2Z940.78
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.78
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.78
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
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
BDBA,B1KE30.7
TOSP-SULFINOTOLUENEH1ETT0.71
TOSP-SULFINOTOLUENEI4PAD0.71
TOSP-SULFINOTOLUENEA1EST0.71
TOSP-SULFINOTOLUENEC,G2CHA0.71
TOSP-SULFINOTOLUENEE1PPH0.71
N4BN-BUTYLBENZENEA186L0.76
MAJindane-5-sulfonamideA2QOA0.72
NPYNAPHTHALENEA,B1O7G0.7
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
BPSA,B2DE40.74
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
I4BISOBUTYLBENZENEA184L0.76
TSUPARA-TOLUENE SULFONATEA,B1WUW0.7
TSUPARA-TOLUENE SULFONATEA1B0D0.7
FPRPROPYLBENZENEC1RHK0.76
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72