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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03538442

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXYPARA-XYLENEA187L0.78
PXYPARA-XYLENEA225L0.78
MBNTOLUENEA,B3D7O0.78
MBNTOLUENEA,B1R1X0.78
MBNTOLUENEA,B1JLX0.78
MBNTOLUENEA,B,C,D3D170.78
MBNTOLUENEA,B2VRL0.78
MBNTOLUENEA,I2Z3E0.78
MBNTOLUENEA,B1YZI0.78
MBNTOLUENEA,B2DN10.78
MBNTOLUENEA,B3EN10.78
DENINDENEA183L0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
2HT3-methylbenzonitrileA,B3F880.89
BDBA,B1KE30.72
FPRPROPYLBENZENEC1RHK0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.7
I4BISOBUTYLBENZENEA184L0.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.73
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.77
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
N4BN-BUTYLBENZENEA186L0.78
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76