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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052426

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
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
PBN4-PHENYLBUTYLAMINEA1TNI0.71
PBN4-PHENYLBUTYLAMINEA1UTP0.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
N4BN-BUTYLBENZENEA186L0.79
BDBA,B1KE30.7
PYLPHENYLETHANEC1B070.79
PYLPHENYLETHANEA,B2VRM0.79
PYLPHENYLETHANEA1NHB0.79
2HT3-methylbenzonitrileA,B3F880.95
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
I4BISOBUTYLBENZENEA184L0.79
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.75
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
PXYPARA-XYLENEA187L0.79
PXYPARA-XYLENEA225L0.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.74
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
DENINDENEA183L0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.72
FPRPROPYLBENZENEC1RHK0.79
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74