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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01899315

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.73
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.7
TY23-AMINO-L-TYROSINEA,B2VH30.75
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.7
4NL4-AMINOPHENOLA2ORL0.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
NCR2-NITRO-P-CRESOLA,B1AHV0.8
OHT4-HYDROXYTAMOXIFENA3ERT0.71
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.71
OHT4-HYDROXYTAMOXIFENA,B1VJB0.71
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.71
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.71
OHT4-HYDROXYTAMOXIFENA2GPU0.71
OHT4-HYDROXYTAMOXIFENA2P7Z0.71
OHT4-HYDROXYTAMOXIFENA,B2BJ40.71
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.73
AZY3-AZIDO-L-TYROSINEA2YXN0.75
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
2AC2-AMINO-P-CRESOLH,I1A2C0.84
2AC2-AMINO-P-CRESOLA1L4M0.84
DMBA,B1SRI0.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.71
MHBA,B1SRG0.72
HABA,B1SRE0.71
2AF2-AMINOPHENOLA1L4N0.75