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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02484020

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1E1Y0.72
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A,B3BLR0.72
CPB2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-
8-(3-HYDROXY-1-METHYL-PIPERIDIN-
4-YL)-4H-BENZOPYRAN-4-ONE		A1C8K0.72
DM74'-DEOXY-4'-IODODOXORUBICINA1IMR0.86
DM74'-DEOXY-4'-IODODOXORUBICINA1IMS0.86
NGMNOGALAMYCINA,B,C,D258D0.87
NGMNOGALAMYCINA282D0.87
NGMNOGALAMYCINA,B224D0.87
NGMNOGALAMYCINA,B245D0.87
NGMNOGALAMYCINA,B1QCH0.87
NGMNOGALAMYCINA1D170.87
NGMNOGALAMYCINA,B1D210.87
NGMNOGALAMYCINA,B182D0.87
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,B1TW20.92
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,B1TW30.92
DXT(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-
3,5,10,12,12A-PENTAHYDROXY-6-METHYL-
1,11-DIOXO-1,4,4A,5,5A,6,11,12A-
OCTAHYDROTETRACENE-2-CARBOXAMIDE		A2O7O0.73
GGTTrioxacarcin AA,B3C2J0.76
TACTETRACYCLINEA,B,C,D,E,F,
G,H,I,J,K,L		2HDN0.7
TACTETRACYCLINEA2VKE0.7
TACTETRACYCLINEA2TRT0.7
TACTETRACYCLINEB2UXO0.7
TACTETRACYCLINEA,B,D,E,G,H,
J,K,L,N,P,Q,
R,T		1I970.7
TACTETRACYCLINEA,D,H,N1HNW0.7
TACTETRACYCLINEA,B2HCJ0.7
DM5IDARUBICINA,B,D198D0.87
DM5IDARUBICINA1D380.87
DM5IDARUBICINA1D670.87
AAY8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)-
6-METHOXY-2-NAPHTHYL]METHYL}-6-
OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL-
1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL 2-METHYLBUTANOATE		A,B1XDD0.75
DBLDEGLUCOBALHIMYCINA,B,C,P1HHZ0.7
DBLDEGLUCOBALHIMYCINA,B,N,P1HHY0.7
VANVANCOMYCINA1C0R0.71
VANVANCOMYCINA,B1SHO0.71
VANVANCOMYCINA,B1PNV0.71
VANVANCOMYCINA1C0Q0.71
VANVANCOMYCINA1QD80.71
VANVANCOMYCINA,B,C,D,E,F1FVM0.71
VANVANCOMYCINA1AA50.71
S2AA2OEY0.77
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,B1NAB0.87
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.75
DVVDESVANCOSAMINYL VANCOMYCINA,B1PN30.71
DVVDESVANCOSAMINYL VANCOMYCINA,B1RRV0.71
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.72
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.9
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
MNGMENOGARILA,B202D0.89
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		1MX90.72
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.88
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.7
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.92
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.83
TA1TAXOLA,B1JFF0.73
TA1TAXOLA,B,C2HXH0.73
TA1TAXOLA,B,N3DCO0.73
TA1TAXOLA,B,K2P4N0.73
TA1TAXOLA,B,D,F,G3EDL0.73
TA1TAXOLA,B,C2HXF0.73
TA1TAXOLA,B,C2WBE0.73
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.87
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.71
TDC5A,6-ANHYDROTETRACYCLINEA2VKV0.71
TDC5A,6-ANHYDROTETRACYCLINEA2VPR0.71
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.89
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.89
AKV{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]-
4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE		A,B,C,D2F990.71
BNRBIS-DAUNORUBICINB1AMD0.92
DM1DAUNOMYCINA152D0.89
DM1DAUNOMYCINA,B,C,D1O0K0.89
DM1DAUNOMYCINA1JO20.89
DM1DAUNOMYCINA,B308D0.89
DM1DAUNOMYCINA1D330.89
DM1DAUNOMYCINA110D0.89
DM1DAUNOMYCINA1D110.89
DM1DAUNOMYCINA427D0.89
DM1DAUNOMYCINA2D340.89
DM1DAUNOMYCINA3F8F0.89
DM1DAUNOMYCINA1D100.89
DM1DAUNOMYCINA1DA00.89
BMYBALHIMYCINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S		1GO60.7
BMYBALHIMYCINA,B,C,D,E,M1HHU0.7
TXLTAXOTEREA,B,K1IA00.72
TXLTAXOTEREA,B1TUB0.72
NCGA1MP70.73
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.91
DM64'-EPIDOXORUBICINA1D150.89
DM64'-EPIDOXORUBICINA1D540.89
DM64'-EPIDOXORUBICINA1D580.89
DM64'-EPIDOXORUBICINA1QDA0.89
DM2DOXORUBICINA2DR60.89
DM2DOXORUBICINA1P200.89
DM2DOXORUBICINA1I1E0.89
DM2DOXORUBICINA151D0.89
DM2DOXORUBICINA1D120.89
DM2DOXORUBICINA1DA90.89
DM36-DEOXYDAUNOMYCINA1D140.89
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.71
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.71
BA1BALANOLA1BX60.74
HEHHEDAMYCINA1JHI0.8
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.76
RUTRUTINA,B1RY80.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.94
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.94
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.94
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.94
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
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		A1LF30.74
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.9
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.74
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID		A1NNY0.71
NCSB1KVH0.75
NCSA2NEO0.75
DM82'-BROMO-4'-EPIDAUNORUBICINA276D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA288D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA277D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA,B380D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA,B381D0.87
DM82'-BROMO-4'-EPIDAUNORUBICINA278D0.87
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.95
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.95
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.87
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.79
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.79
NOVNOVOBIOCINA,B1KIJ0.75
NOVNOVOBIOCINA,B1S140.75
NOVNOVOBIOCINA1AJ60.75
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.92
AKYA,B,C,D2IPI0.89