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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02481810

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NLX(5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-
17-METHYL-6-OXO-17-(2-PROPENYL)-
MORPHINANIUM
A,B,C,D,E,F,
G,H,I,J,K,L
1MX90.73
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.71
CC0(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-
4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-
ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID
A1IJR0.71
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.7
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,B2QMG0.71
HEHHEDAMYCINA1JHI0.84
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,B1TW20.85
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,B1TW30.85
DBLDEGLUCOBALHIMYCINA,B,C,P1HHZ0.73
DBLDEGLUCOBALHIMYCINA,B,N,P1HHY0.73
DZNDAIDZINA,B,C,D,E,F,
G,H
2VLE0.71
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.9
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.9
NCSB1KVH0.76
NCSA2NEO0.76
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN
A482D0.8
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,B1NAB0.83
PCYPACTAMYCINA,D,H,N1HNX0.71
CCICALICHEAMICIN GAMMA-1-IB1QMS0.71
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1E1Y0.7
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A,B3BLR0.7
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE
A1C8K0.7
SUWME-A-9-N-(NAPHTHYL-2-CARBONYL)-
AMINO-9-DEOXY-NEU5AC
A1OD70.7
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE
A2H440.7
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.9
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.83
MNGMENOGARILA,B202D0.92
NGMNOGALAMYCINA,B,C,D258D0.9
NGMNOGALAMYCINA282D0.9
NGMNOGALAMYCINA,B224D0.9
NGMNOGALAMYCINA,B245D0.9
NGMNOGALAMYCINA,B1QCH0.9
NGMNOGALAMYCINA1D170.9
NGMNOGALAMYCINA,B1D210.9
NGMNOGALAMYCINA,B182D0.9
AKYA,B,C,D2IPI0.82
DM5IDARUBICINA,B,D198D0.82
DM5IDARUBICINA1D380.82
DM5IDARUBICINA1D670.82
TA1TAXOLA,B1JFF0.71
TA1TAXOLA,B,C2HXH0.71
TA1TAXOLA,B,N3DCO0.71
TA1TAXOLA,B,K2P4N0.71
TA1TAXOLA,B,D,F,G3EDL0.71
TA1TAXOLA,B,C2HXF0.71
TA1TAXOLA,B,C2WBE0.71
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,H1PZI0.71
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.71
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID
A1NNY0.7
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.74
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QMF0.72
BNRBIS-DAUNORUBICINB1AMD0.88
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID
A1S0J0.72
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.77
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.77
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE
C2FDC0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.82
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.82
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.82
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.82
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.82
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.82
NOVNOVOBIOCINA,B1KIJ0.77
NOVNOVOBIOCINA,B1S140.77
NOVNOVOBIOCINA1AJ60.77
BA1BALANOLA1BX60.75
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.82
DVVDESVANCOSAMINYL VANCOMYCINA,B1PN30.73
DVVDESVANCOSAMINYL VANCOMYCINA,B1RRV0.73
NCGA1MP70.74
DM1DAUNOMYCINA152D0.85
DM1DAUNOMYCINA,B,C,D1O0K0.85
DM1DAUNOMYCINA1JO20.85
DM1DAUNOMYCINA,B308D0.85
DM1DAUNOMYCINA1D330.85
DM1DAUNOMYCINA110D0.85
DM1DAUNOMYCINA1D110.85
DM1DAUNOMYCINA427D0.85
DM1DAUNOMYCINA2D340.85
DM1DAUNOMYCINA3F8F0.85
DM1DAUNOMYCINA1D100.85
DM1DAUNOMYCINA1DA00.85
NM13-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-
3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-
2-YLMETHYL)-N-METHYL-BENZAMIDE
B1G2K0.73
ROMC-1027 AROMATIZED CHROMOPHOREA1HZL0.71
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE
A1REK0.76
VANVANCOMYCINA1C0R0.73
VANVANCOMYCINA,B1SHO0.73
VANVANCOMYCINA,B1PNV0.73
VANVANCOMYCINA1C0Q0.73
VANVANCOMYCINA1QD80.73
VANVANCOMYCINA,B,C,D,E,F1FVM0.73
VANVANCOMYCINA1AA50.73
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
1JQY0.71
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN
A236D0.86
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.88
TXLTAXOTEREA,B,K1IA00.7
TXLTAXOTEREA,B1TUB0.7
DM36-DEOXYDAUNOMYCINA1D140.84
A24(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-
GALACTOPYRANOSIDE
D,E,F,G,H1JR00.71
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.73
DM64'-EPIDOXORUBICINA1D150.85
DM64'-EPIDOXORUBICINA1D540.85
DM64'-EPIDOXORUBICINA1D580.85
DM64'-EPIDOXORUBICINA1QDA0.85
DM2DOXORUBICINA2DR60.85
DM2DOXORUBICINA1P200.85
DM2DOXORUBICINA1I1E0.85
DM2DOXORUBICINA151D0.85
DM2DOXORUBICINA1D120.85
DM2DOXORUBICINA1DA90.85
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.9
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE
D,E,F,G,H,L,
M,N,O,P
1FD70.74
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID
B1JF70.74
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.86
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.86
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.86
GGTTrioxacarcin AA,B3C2J0.73
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.71
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A215D0.87
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A235D0.87
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A234D0.87
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN
A,B2DES0.87
BMYBALHIMYCINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S
1GO60.73
BMYBALHIMYCINA,B,C,D,E,M1HHU0.73
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.84
VAGVANCOMYCIN AGLYCONA1GHG0.7
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE
A1BB70.72
S2AA2OEY0.76
CC1{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-
2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-
5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-
ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
A,B1FBZ0.71
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.82
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.82
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
A1LF30.75
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.83