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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727164

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
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.72
CBNCLOROBIOCINA1KZN0.76
DRA11-DEOXY-BETA-RHODOMYCINA,B1XDS0.7
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		1JQY0.7
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A215D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A235D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A234D0.73
DMM3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLINYL)-
DOXORUBICIN		A,B2DES0.73
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,B1BL40.74
B8L3-[(3-SEC-BUTYL-4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXY-5-METHOXYBENZOYL)BENZOATE		A1REK0.72
AKYA,B,C,D2IPI0.71
CHRNEOCARZINOSTATIN-CHROMOPHOREA1O5P0.74
CHRNEOCARZINOSTATIN-CHROMOPHOREA,B1NCO0.74
TBH5-(2-{2-[(TERT-BUTOXY-HYDROXY-METHYL)-
AMINO]-1-HYDROXY-3-PHENYL-PROPYLAMINO}-
3-HYDROXY-3-PENTYLAMINO-PROPYL)-
2-CARBOXYMETHOXY-BENZOIC ACID		B1JF70.76
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.78
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.76
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,B1TW20.74
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,B1TW30.74
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE		A,D1R200.71
NGUU-58872, HYDROXY DERIVATIVE OF NOGALAMYCINA,B1D220.73
NM13-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-
3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-
2-YLMETHYL)-N-METHYL-BENZAMIDE		B1G2K0.71
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.76
ADF4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-
1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-
3-TERT-BUTYLBENZOIC ACID		A2G5P0.71
VANVANCOMYCINA1C0R0.71
VANVANCOMYCINA,B1SHO0.71
VANVANCOMYCINA,B1PNV0.71
VANVANCOMYCINA1C0Q0.71
VANVANCOMYCINA1QD80.71
VANVANCOMYCINA,B,C,D,E,F1FVM0.71
VANVANCOMYCINA1AA50.71
HEHHEDAMYCINA1JHI0.72
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1PH00.71
MNGMENOGARILA,B202D0.73
GUM4-METHYL-UMBELLIFERYL-N-ACETYL-
CHITOBIOSE		A1BB70.79
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.7
MUS4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-
(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-
NON-2-ULOPYRANOSIDONIC ACID		A1S0J0.77
DBLDEGLUCOBALHIMYCINA,B,C,P1HHZ0.72
DBLDEGLUCOBALHIMYCINA,B,N,P1HHY0.72
DM41-O-DEMETHYL-6-DEOXYDOXORUBICINA1D370.7
NODN-ETHYLHYDROXY-DOXORUBICINA385D0.74
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AL90.76
BDA4-METHYLBENZYL-N-BIS[DAUNOMYCIN]A1AGL0.76
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1QXK0.73
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE		A,B,C,D2FHK0.71
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE		A,B,C,D2FHJ0.71
CC0(4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-
4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-
ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID		A1IJR0.7
BMYBALHIMYCINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,S		1GO60.72
BMYBALHIMYCINA,B,C,D,E,M1HHU0.72
DZNDAIDZINA,B,C,D,E,F,
G,H		2VLE0.77
NOVNOVOBIOCINA,B1KIJ1
NOVNOVOBIOCINA,B1S141
NOVNOVOBIOCINA1AJ61
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.72
CMD3'-DESAMINO-3'-(3-CYANO-4-MORPHOLINYL)-
DOXORUBICIN		A236D0.72
BNRBIS-DAUNORUBICINB1AMD0.75
AKA10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)A1Q0Z0.7
AKT10-DECARBOXYMETHYLACLACINOMYCIN T (DCMAT)A1Q0R0.72
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.7
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
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID		A1G7G0.72
DM9N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-
DAUNOMYCIN		A482D0.72
NGPNOGALAMYCIN (PROTONATED FORM)A1L0R0.73
NCGA1MP70.72
R6GRHODAMINE 6GB2V3L0.72
MUG4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSEA,B,C,D1CJP0.71
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE		A1SIH0.71
NGMNOGALAMYCINA,B,C,D258D0.73
NGMNOGALAMYCINA282D0.73
NGMNOGALAMYCINA,B224D0.73
NGMNOGALAMYCINA,B245D0.73
NGMNOGALAMYCINA,B1QCH0.73
NGMNOGALAMYCINA1D170.73
NGMNOGALAMYCINA,B1D210.73
NGMNOGALAMYCINA,B182D0.73
DM36-DEOXYDAUNOMYCINA1D140.72
DM2DOXORUBICINA2DR60.72
DM2DOXORUBICINA1P200.72
DM2DOXORUBICINA1I1E0.72
DM2DOXORUBICINA151D0.72
DM2DOXORUBICINA1D120.72
DM2DOXORUBICINA1DA90.72
DM64'-EPIDOXORUBICINA1D150.72
DM64'-EPIDOXORUBICINA1D540.72
DM64'-EPIDOXORUBICINA1D580.72
DM64'-EPIDOXORUBICINA1QDA0.72
UMGMETHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSEA1BB60.77
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		A1LF30.73
DVVDESVANCOSAMINYL VANCOMYCINA,B1PN30.72
DVVDESVANCOSAMINYL VANCOMYCINA,B1RRV0.72
DM1DAUNOMYCINA152D0.72
DM1DAUNOMYCINA,B,C,D1O0K0.72
DM1DAUNOMYCINA1JO20.72
DM1DAUNOMYCINA,B308D0.72
DM1DAUNOMYCINA1D330.72
DM1DAUNOMYCINA110D0.72
DM1DAUNOMYCINA1D110.72
DM1DAUNOMYCINA427D0.72
DM1DAUNOMYCINA2D340.72
DM1DAUNOMYCINA3F8F0.72
DM1DAUNOMYCINA1D100.72
DM1DAUNOMYCINA1DA00.72
SHP(4-HYDROXYMALTOSEPHENYL)GLYCINEA1DSR0.74
BA1BALANOLA1BX60.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D360.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1R680.72
MAR4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINA1D350.72