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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00020389

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRA3-PHENYLPROPYLAMINEA1TNK0.71
PRA3-PHENYLPROPYLAMINEM1UTL0.71
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
N4BN-BUTYLBENZENEA186L0.8
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.77
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.7
PEA2-PHENYLETHYLAMINEA1TNJ0.7
PEA2-PHENYLETHYLAMINED,H2HKM0.7
PEA2-PHENYLETHYLAMINEA1UTO0.7
PEA2-PHENYLETHYLAMINEA,B1D6Y0.7
PEA2-PHENYLETHYLAMINEA,B1D6Z0.7
PEA2-PHENYLETHYLAMINEA,B1D6U0.7
PEA2-PHENYLETHYLAMINEA1UTM0.7
2HT3-methylbenzonitrileA,B3F880.97
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
FPRPROPYLBENZENEC1RHK0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
MBNTOLUENEA,B3D7O0.79
MBNTOLUENEA,B1R1X0.79
MBNTOLUENEA,B1JLX0.79
MBNTOLUENEA,B,C,D3D170.79
MBNTOLUENEA,B2VRL0.79
MBNTOLUENEA,I2Z3E0.79
MBNTOLUENEA,B1YZI0.79
MBNTOLUENEA,B2DN10.79
MBNTOLUENEA,B3EN10.79
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
PXYPARA-XYLENEA187L0.8
PXYPARA-XYLENEA225L0.8
DENINDENEA183L0.71
BDBA,B1KE30.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
I4BISOBUTYLBENZENEA184L0.8