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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03875209

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PA3PAROMOMYCIN (RING 3)A1PBR0.73
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYG0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1O9J0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3H9M0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1KZI0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YWM0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1TV80.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E,F,
G,H
1W4R0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E2C920.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYI0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3C610.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A2VK30.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2VNF0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,D,E,F,G,
H,I
2BGC0.76
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2H000.76
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.72
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.72
BLT1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQW0.71
SSE1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQV0.71
MTLD-MANNITOLA,B1ZZU0.7
MTLD-MANNITOLA,B1ZZQ0.7
MTLD-MANNITOLA,B1M2W0.7
MTLD-MANNITOLA2VFU0.7
DTO1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-
2,3-DIOL
A,B1QMH0.72
GS11-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.76
XYLD-XYLITOLA,B1XLC0.76
XYLD-XYLITOLA1S5N0.76
XYLD-XYLITOLA1W3Y0.76
XYLD-XYLITOLA1NJR0.76
XYLD-XYLITOLG,H,L2B4C0.76
XYLD-XYLITOLA,B1FX50.76
XYLD-XYLITOLA,B1XLM0.76
XYLD-XYLITOLA,B,C,D1XIN0.76
XYLD-XYLITOLA,B,C,D2XIM0.76
XYLD-XYLITOLA2VFS0.76
XYLD-XYLITOLA,B,C,D1XIM0.76
XYLD-XYLITOLA2XIS0.76
XYLD-XYLITOLA,B1XLG0.76
XYLD-XYLITOLA,B1XLD0.76
XYLD-XYLITOLA1LTE0.76
XYLD-XYLITOLA,B1XLJ0.76
XYLD-XYLITOLA1XIG0.76
XYLD-XYLITOLA,B5XIA0.76
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.74
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
1HKX0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FX20.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2OLW0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YRP0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
2A270.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2V6V0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PX60.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N0H0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2BVJ0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1RAM0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N1C0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1W270.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYG0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHG0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2E8E0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2I9F0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2EAK0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1B2L0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1VD50.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMH0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3G360.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANED1V8Q0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2O300.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2V8V0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2G8X0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B3HP80.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BME0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
1XXX0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1DQ80.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1F0C0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1H0P0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IAH0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2J980.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1EAC0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1X0J0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2HP00.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F3BBF0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1R430.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KV50.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMQ0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEB,C1X790.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1SV20.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2PNU0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2A2A0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1MW00.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FVG0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1ZLQ0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FA20.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1O9J0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F2PAN0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2QSI0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AMB0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3GVT0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KZI0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1TIQ0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMO0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YQD0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AM90.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMF0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2CZD0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMD0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PLR0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3FVE0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHH0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMM0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PIJ0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IA90.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F1F7T0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYI0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KAE0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N2F0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FW10.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1RE50.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2CKO0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1A780.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1DK80.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,D,E,F,G,
H,I
2BGC0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B5TIM0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2VNF0.76
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1I3S0.76
SGMMONOTHIOGLYCEROLA,B,C,D1OGU0.75
SGMMONOTHIOGLYCEROLA,B,C,D3DDQ0.75
SGMMONOTHIOGLYCEROLA,B,C,D3DOG0.75
SGMMONOTHIOGLYCEROLA1QFM0.75
SGMMONOTHIOGLYCEROLA,B,C,D1OIY0.75
SGMMONOTHIOGLYCEROLA,B,C,D3BHT0.75
SGMMONOTHIOGLYCEROLA,B,C,D1OIU0.75
SGMMONOTHIOGLYCEROLA,B,C,D2IW80.75
SGMMONOTHIOGLYCEROLA,B,C,D2IW60.75
SGMMONOTHIOGLYCEROLA,B,C,D3BHV0.75
SGMMONOTHIOGLYCEROLA,B,C,D1OI90.75
SGMMONOTHIOGLYCEROLA,B,C,D2IW90.75
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.76
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YVJ0.76
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D2RAM0.76
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3F460.76
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1NYT0.76
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.76
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1F9O0.74
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.74
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.74
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.74
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.72
SORD-SORBITOLA1FQA0.7
SORD-SORBITOLA,B,C,D3XIM0.7
SORD-SORBITOLA2VFT0.7
SORD-SORBITOLA,B,C,D5XIM0.7
SORD-SORBITOLA3BRF0.7
SORD-SORBITOLA1XIH0.7
SORD-SORBITOLA2DXR0.7
SORD-SORBITOLA1D8C0.7
SORD-SORBITOLA,B,C,D2XIN0.7
SORD-SORBITOLA1FQB0.7
SORD-SORBITOLA,B4XIA0.7