MMsINC Database Search
logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02038574

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1QXK0.8
ACF3-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-
1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-
4-CHLOROBENZOIC ACID		A2G5T0.7
OTGORTHO-TOLUOYLGLUCOSAMINEA2YHX0.75
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.74
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.74
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.74
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.74
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.78
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.76
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.73
FNG5-AMINOCARBONYL-3-NITROPHENYL-ALPHA-
D-GALACTOPYRANOSE		D,E,F,G,H1LLR0.71
PH52-PHENYL-PROP5ACA,B2BVE0.81
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,B1MTR0.72
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.73
BEIN,N-[2,5-O-[DIBENZYL]-GLUCARYL]-
DI-[ISOLEUCYL-AMIDO-METHANE]		A1EBW0.71
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,B3BXS0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.73
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.73
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.73
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.73
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.73
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.73
C41ALISKIRENC,O2V0Z0.72
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QMF0.74
629[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID		A1JIJ0.72
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.8
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.7
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN70.73
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.71
EH5N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3-
DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]-
[2-(HEXAHYDRO-BENZO[1,3]DIOXOL-
5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)-
4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE		A1LF30.71
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.72
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.72
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.73
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,B1B6P0.72
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.73
BFN5-(acetylamino)-2,6-anhydro-3,5,9-
trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]-
D-arabino-L-galacto-nononic acid		A3B690.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.75
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.82
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER		A1JIK0.74
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.72
44D7-[5-(4-AMINO-5-HYDROXY-6-METHYL-
TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-
6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-
6,9,11-TRIHYDROXY-9-(2-HYDROXY-
ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-
5,12-DIONE		A,B1NAB0.71
HEHHEDAMYCINA1JHI0.72
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.7
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,B1B6L0.71
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.79
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.75
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1PH00.71
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.8
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.8
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,B1BL40.72
HOSPhomopsin AA,B,C,D3DU70.71
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.79
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.73
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE		A,B,C,D2EWY0.72
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE		C,O2V100.73
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE		A,B,C,D2FHK0.74
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE		A,B,C,D2FHJ0.74
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.77
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.77
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.74
MC1METHICILLIN ACYL-SERINEA,B1MWU0.74
CCICALICHEAMICIN GAMMA-1-IB1QMS0.72
DM1DAUNOMYCINA152D0.75
DM1DAUNOMYCINA,B,C,D1O0K0.75
DM1DAUNOMYCINA1JO20.75
DM1DAUNOMYCINA,B308D0.75
DM1DAUNOMYCINA1D330.75
DM1DAUNOMYCINA110D0.75
DM1DAUNOMYCINA1D110.75
DM1DAUNOMYCINA427D0.75
DM1DAUNOMYCINA2D340.75
DM1DAUNOMYCINA3F8F0.75
DM1DAUNOMYCINA1D100.75
DM1DAUNOMYCINA1DA00.75
PEM2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-
2-METHYLPROPIONIC ACID		A,B1IWH0.7
PCYPACTAMYCINA,D,H,N1HNX0.72
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.74
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.74
NOVNOVOBIOCINA,B1KIJ0.77
NOVNOVOBIOCINA,B1S140.77
NOVNOVOBIOCINA1AJ60.77
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.72
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.72
ADF4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-
1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-
3-TERT-BUTYLBENZOIC ACID		A2G5P0.75
BV21,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-
BENZOYLAMINO]-PROPYL}-PIPERAZIN-
1-YL)-PROPYL-AMINO]-CARBONYLOXY)-
2-AMINO-PROPANE		D,E,F,G,H1RD90.71
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.71
OBE3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-
8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID		H1RIV0.73
AKYA,B,C,D2IPI0.72
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.71
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.72
A32(3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H,L,
M,O,P,V,W,X,
Y,Z		1JQY0.76
DM5IDARUBICINA,B,D198D0.72
DM5IDARUBICINA1D380.72
DM5IDARUBICINA1D670.72
INZ2-{4-[(2S)-2-[({[(1S)-1-CARBOXY-
2-PHENYLETHYL]AMINO}CARBONYL)AMINO]-
3-OXO-3-(PENTYLAMINO)PROPYL]PHENOXY}MALONIC ACID		A1G7F0.75
BA1BALANOLA1BX60.73
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.7
1DMN-(2-MORPHOLIN-4-YL-1-MORPHOLIN-
4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-
TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-
PYRAN-2-YLOXY)-BENZAMIDE		D,E,F,G,H1PZI0.74
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.84
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.77
NCGA1MP70.73
383[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(2,4,5,8-TETRAHYDROXY-7-OXA-2-
AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID		A1JII0.71
DM36-DEOXYDAUNOMYCINA1D140.75
BNRBIS-DAUNORUBICINB1AMD0.73
DM2DOXORUBICINA2DR60.75
DM2DOXORUBICINA1P200.75
DM2DOXORUBICINA1I1E0.75
DM2DOXORUBICINA151D0.75
DM2DOXORUBICINA1D120.75
DM2DOXORUBICINA1DA90.75
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE		D,E,F,G,H1JR00.76
DM64'-EPIDOXORUBICINA1D150.75
DM64'-EPIDOXORUBICINA1D540.75
DM64'-EPIDOXORUBICINA1D580.75
DM64'-EPIDOXORUBICINA1QDA0.75
MNGMENOGARILA,B202D0.76
15BN-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
BETA-BENZAMIDE		D,E,F,G,H1PZJ0.73
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.74
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.74
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.74
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.74
NM13-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-
3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-
2-YLMETHYL)-N-METHYL-BENZAMIDE		B1G2K0.74
SUWME-A-9-N-(NAPHTHYL-2-CARBONYL)-
AMINO-9-DEOXY-NEU5AC		A1OD70.71
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.79
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.71
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.73
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.86
ERTMETHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-
7-METHOXY-6,11-DIOXO-4-{[2,3,6-
TRIDEOXY-3-(DIMETHYLAMINO)-BETA-
D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-
TETRACENE-1-CARBOXYLATE		A,B1TW20.76
ERTMETHYL (4R)-2-ETHYL-2,5,12-TRIHYDROXY-
7-METHOXY-6,11-DIOXO-4-{[2,3,6-
TRIDEOXY-3-(DIMETHYLAMINO)-BETA-
D-RIBO-HEXOPYRANOSYL]OXY}-1H,2H,3H,4H,6H,11H-
TETRACENE-1-CARBOXYLATE		A,B1TW30.76
SC6N-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-3-{[(2R)-2-(METHOXYMETHYL)PYRROLIDIN-
1-YL]CARBONYL}-5-METHYLBENZAMIDE		A,B2QMG0.73
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.87
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,B1B6M0.72
NGMNOGALAMYCINA,B,C,D258D0.75
NGMNOGALAMYCINA282D0.75
NGMNOGALAMYCINA,B224D0.75
NGMNOGALAMYCINA,B245D0.75
NGMNOGALAMYCINA,B1QCH0.75
NGMNOGALAMYCINA1D170.75
NGMNOGALAMYCINA,B1D210.75
NGMNOGALAMYCINA,B182D0.75
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID		A1JIL0.79
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.73
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.73
J15N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN-
1-YL]-PROPYL}-3-NITRO-5-(GALACTOPYRANOSYL)-
ALPHA-BENZAMIDE		D,E,F,G,H1PZJ0.73
BNDME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5ACA1OD90.76
S2AA2OEY0.71
CC0(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-
4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-
ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID		A1IJR0.74
NCSB1KVH0.73
NCSA2NEO0.73
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C1L6M0.73
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3CBC0.73
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3BY00.73
BDUME-A-9-N-(BIPHENYL-4-CARBONYL)-
AMINO-9-DEOXY-NEU5AC		A1ODA0.74