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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02508888

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LOCN-[(7S)-1,2,3,10-tetramethoxy-9-
oxo-6,7-dihydro-5H-benzo[d]heptalen-
7-yl]ethanamide		A,B,C,D3E220.71
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.7
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.76
DJR(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL [(1S,2R)-1-BENZYL-
2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE		A2I4U0.72
DJR(3R,3AS,6AR)-HEXAHYDROFURO[2,3-
B]FURAN-3-YL [(1S,2R)-1-BENZYL-
2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL]CARBAMATE		B2I4V0.72
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.71
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.76
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.76
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.71
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.73
C41ALISKIRENC,O2V0Z0.73
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one		A,B1XM60.74
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE		C,O2V100.74
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid		A,B3BXS0.72
AP1{3-[3-(3,4-DIMETHOXY-PHENYL)-1-
(1-{1-[2-(3,4,5-TRIMETHOXY-PHENYL)-
BUTYRYL]-PIPERIDIN-2YL}-VINYLOXY)-
PROPYL]-PHENOXY}-ACETIC ACID		A,B1BL40.7
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.73
DM36-DEOXYDAUNOMYCINA1D140.71
CM4(2R,3R,4S)-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIM0.7
PI6[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-
2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YLAMINO)-
2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER		A,B1B6M0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.74
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.74
MNGMENOGARILA,B202D0.75
NOVNOVOBIOCINA,B1KIJ0.72
NOVNOVOBIOCINA,B1S140.72
NOVNOVOBIOCINA1AJ60.72
PI7N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL) -
PROPYL]-3-METHYL-2-PROPIONYLAMINO-
BUTYRAMIDE		A,B1B6P0.71
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate		A,B1MTR0.71
BAD(1S)-2-amino-1-phenylethyl 6-O-
beta-L-glucopyranosyl-alpha-D-mannopyranoside		A2QJE0.7
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.74
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.84
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER		A1JIK0.71
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.77
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.86
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.74
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.72
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3I0.76
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.81
DM1DAUNOMYCINA152D0.7
DM1DAUNOMYCINA,B,C,D1O0K0.7
DM1DAUNOMYCINA1JO20.7
DM1DAUNOMYCINA,B308D0.7
DM1DAUNOMYCINA1D330.7
DM1DAUNOMYCINA110D0.7
DM1DAUNOMYCINA1D110.7
DM1DAUNOMYCINA427D0.7
DM1DAUNOMYCINA2D340.7
DM1DAUNOMYCINA3F8F0.7
DM1DAUNOMYCINA1D100.7
DM1DAUNOMYCINA1DA00.7
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.71
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.71
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.71
PI41-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-
2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14-TRIEN-11-YL)-2-
HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A,B1B6L0.7
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL		A2V3R0.76
NGMNOGALAMYCINA,B,C,D258D0.73
NGMNOGALAMYCINA282D0.73
NGMNOGALAMYCINA,B224D0.73
NGMNOGALAMYCINA,B245D0.73
NGMNOGALAMYCINA,B1QCH0.73
NGMNOGALAMYCINA1D170.73
NGMNOGALAMYCINA,B1D210.73
NGMNOGALAMYCINA,B182D0.73
CM3(2R,3R,4S)-5-FLUORO-3-(4-HYDROXYPHENYL)-
4-METHYL-2-[4-(2-PIPERIDIN-1-YLETHOXY)PHENYL]CHROMAN-
6-OL		A1YIN0.7
DM64'-EPIDOXORUBICINA1D150.7
DM64'-EPIDOXORUBICINA1D540.7
DM64'-EPIDOXORUBICINA1D580.7
DM64'-EPIDOXORUBICINA1QDA0.7
DM2DOXORUBICINA2DR60.7
DM2DOXORUBICINA1P200.7
DM2DOXORUBICINA1I1E0.7
DM2DOXORUBICINA151D0.7
DM2DOXORUBICINA1D120.7
DM2DOXORUBICINA1DA90.7
PH52-PHENYL-PROP5ACA,B2BVE0.73
QFI({4-[(2S,3R)-2-({[(3R,3AS,6AR)-
HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-
3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONIC ACID		B2I4D0.7
S2AA2OEY0.71
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.71
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.7
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.7