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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00485087

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.7
AMEN-ACETYLMETHIONINEA,B2J4Y0.7
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B,C,D1M2X0.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B1J370.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1UZF0.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B2FU80.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A2QDS0.76
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1JT10.76
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2S0.72
GSN2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-
2-NITROSOSULFANYL-ETHYL]AMINO-5-
OXO-PENTANOATE
A,B2A2R0.72
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W030.75
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE
A1W040.75
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.79
GSHGLUTATHIONEA1EEM0.79
GSHGLUTATHIONEA,B1USB0.79
GSHGLUTATHIONEA3FZA0.79
GSHGLUTATHIONEA2IMF0.79
GSHGLUTATHIONEA,B1PX60.79
GSHGLUTATHIONEA,B1MD40.79
GSHGLUTATHIONEA2CZ20.79
GSHGLUTATHIONEA3FZ90.79
GSHGLUTATHIONEA,B,C,D1R4W0.79
GSHGLUTATHIONEA1ZHP0.79
GSHGLUTATHIONEA,B3E730.79
GSHGLUTATHIONEA1VF10.79
GSHGLUTATHIONEA3CRT0.79
GSHGLUTATHIONEA,B,C,D2VCX0.79
GSHGLUTATHIONEA,B,C,D1XW60.79
GSHGLUTATHIONEA3CRU0.79
GSHGLUTATHIONEA,B1B480.79
GSHGLUTATHIONEA2ZK20.79
GSHGLUTATHIONEA,B,C,D1IYH0.79
GSHGLUTATHIONEA,B,C,D1Q8M0.79
GSHGLUTATHIONEA,B,C,D2PBJ0.79
GSHGLUTATHIONEA,B,C,D2VCQ0.79
GSHGLUTATHIONEA1GRA0.79
GSHGLUTATHIONEA,B1QGJ0.79
GSHGLUTATHIONEA2HGS0.79
GSHGLUTATHIONEA,B,C,D2VD10.79
GSHGLUTATHIONEA1ZHM0.79
GSHGLUTATHIONEA,B,C,D2VCZ0.79
GSHGLUTATHIONEC1KCG0.79
GSHGLUTATHIONEA,B1MD30.79
GSHGLUTATHIONEA,B2IO90.79
GSHGLUTATHIONEA,B2JL40.79
GSHGLUTATHIONEA3DK80.79
GSHGLUTATHIONEA3DK40.79
GSHGLUTATHIONEA,B,D2VCW0.79
GSHGLUTATHIONEA,B1XW50.79
GSHGLUTATHIONEA,B3FHS0.79
GSHGLUTATHIONEA,B1Y1A0.79
GSHGLUTATHIONEA1GRE0.79
GSHGLUTATHIONEA,B2HT90.79
GSHGLUTATHIONEA,B1DUG0.79
GSHGLUTATHIONEA,B,C,D2VD00.79
GSHGLUTATHIONEA,B1TYP0.79
GSHGLUTATHIONEA2FLS0.79
GSHGLUTATHIONEA,B1OE80.79
GSHGLUTATHIONEA,B1PX70.79
GSHGLUTATHIONEA3C1S0.79
GSHGLUTATHIONEA,B1F3A0.79
GSHGLUTATHIONEA1FW10.79
GSHGLUTATHIONEA,B2IMI0.79
GSHGLUTATHIONEA,B1LBK0.79
GSHGLUTATHIONEA,B2HQM0.79
GSHGLUTATHIONEA,B1TDI0.79
GSHGLUTATHIONEA,B,C,D1V400.79
GSHGLUTATHIONEA,B,C,D1IYI0.79
GSHGLUTATHIONEA3D0Z0.79
GSHGLUTATHIONEA,B1ZGN0.79
GSHGLUTATHIONEA,B,C,D2CVD0.79
GSHGLUTATHIONEA,B3C8E0.79
GSHGLUTATHIONEA,B,C1YJ60.79
GSHGLUTATHIONEA2IMD0.79
GSHGLUTATHIONEA2IME0.79
GSHGLUTATHIONEA3BHJ0.79
GSHGLUTATHIONEA,B1OE70.79
074[PROPYLAMINO-3-HYDROXY-BUTAN-1,4-
DIONYL]-ISOLEUCYL-PROLINE
A1QDQ0.72
IP1ISOPENICILLIN NA1QJE0.78
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.81
GTXS-HEXYLGLUTATHIONEA,B1AGS0.81
GTXS-HEXYLGLUTATHIONEA,B1PN90.81
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.81
GTXS-HEXYLGLUTATHIONEA,B2IMK0.81
GTXS-HEXYLGLUTATHIONEA,B4GSS0.81
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.81
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.81
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.81
GTXS-HEXYLGLUTATHIONEA,B2GLR0.81
GTXS-HEXYLGLUTATHIONEA,B2OA70.81
GTXS-HEXYLGLUTATHIONEA,C2AAW0.81
GTXS-HEXYLGLUTATHIONEA,B1VF20.81
GTXS-HEXYLGLUTATHIONEA1M9A0.81
GTXS-HEXYLGLUTATHIONEA,B17GS0.81
GTXS-HEXYLGLUTATHIONEA,B1K0A0.81
GTXS-HEXYLGLUTATHIONEA,B2R3X0.81
GTXS-HEXYLGLUTATHIONEA,B1GSU0.81
GTXS-HEXYLGLUTATHIONEA,B2C800.81
GTXS-HEXYLGLUTATHIONEA,B2R6K0.81
GTXS-HEXYLGLUTATHIONEA,B1PGT0.81
GTXS-HEXYLGLUTATHIONEA,B2J9H0.81
GTXS-HEXYLGLUTATHIONEA,B1K3L0.81
GTXS-HEXYLGLUTATHIONEA,B1GNW0.81
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.81
GTXS-HEXYLGLUTATHIONEA,B1YDK0.81
GTXS-HEXYLGLUTATHIONEA,B9GSS0.81
3GCGAMMA-GLUTAMYLCYSTEINEA,B2BU30.75
3GCGAMMA-GLUTAMYLCYSTEINEA,B1M0W0.75
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.78
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.78
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid
A3BEB0.76
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.84
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.71
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE
A1QIQ0.79
GTSGLUTATHIONE SULFONIC ACIDA,B1A0F0.73
GTSGLUTATHIONE SULFONIC ACIDA,B1GLP0.73
GTSGLUTATHIONE SULFONIC ACIDA,B1N2A0.73
GTSGLUTATHIONE SULFONIC ACIDA,B,C,D1V2A0.73
GTSGLUTATHIONE SULFONIC ACIDA1M990.73
GTSGLUTATHIONE SULFONIC ACIDA1R5A0.73
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV90.73
GTSGLUTATHIONE SULFONIC ACIDA,C,D1EV40.73
DDD(5R,10S)-5-{[(CARBOXYMETHYL)AMINO]CARBONYL}-
7-OXO-3-THIA-1,6-DIAZABICYCLO[4.4.1]UNDECANE-
10-CARBOXYLIC ACID
A2PFG0.71
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A3BHM0.81
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID
A,B1MC50.81
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
A2BU90.71
V10N^6^-[(1R)-2-[(1R)-1-carboxy-2-
(methylsulfanyl)ethoxy]-2-oxo-1-
(sulfanylmethyl)ethyl]-6-oxo-L-
lysine
A2VBD0.7
CXMN-CARBOXYMETHIONINEA,B1DNA0.7
CXMN-CARBOXYMETHIONINEA,B1JTU0.7
CXMN-CARBOXYMETHIONINEA,B1F4F0.7
CXMN-CARBOXYMETHIONINEA,B3BHL0.7
CXMN-CARBOXYMETHIONINEA,B2G8M0.7
CXMN-CARBOXYMETHIONINEA,C1S3T0.7
CXMN-CARBOXYMETHIONINEA2FTN0.7
CXMN-CARBOXYMETHIONINEA1AJM0.7
CXMN-CARBOXYMETHIONINEA1EV80.7
CXMN-CARBOXYMETHIONINEA,B2G8O0.7
CXMN-CARBOXYMETHIONINEA1EV50.7
CXMN-CARBOXYMETHIONINEA,B1JG00.7
CXMN-CARBOXYMETHIONINEA1FFL0.7
CXMN-CARBOXYMETHIONINEA1BJG0.7
CXMN-CARBOXYMETHIONINEA,B1TLS0.7
CXMN-CARBOXYMETHIONINEA,B1KCE0.7
CXMN-CARBOXYMETHIONINEA,B1NCE0.7
CXMN-CARBOXYMETHIONINEA1TSN0.7
CXMN-CARBOXYMETHIONINEA1F4B0.7
CXMN-CARBOXYMETHIONINEA,B1F4G0.7
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1KZJ0.7
CXMN-CARBOXYMETHIONINEA3B9H0.7
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F1NKZ0.7
CXMN-CARBOXYMETHIONINEA3BHR0.7
CXMN-CARBOXYMETHIONINEA,B1KZI0.7
CXMN-CARBOXYMETHIONINEA1EVG0.7
CXMN-CARBOXYMETHIONINEA,B1F4C0.7
CXMN-CARBOXYMETHIONINEA,B1FWM0.7
CXMN-CARBOXYMETHIONINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,R,S
2FKW0.7
CXMN-CARBOXYMETHIONINEA1EVF0.7
CXMN-CARBOXYMETHIONINEA,B1F4D0.7
CXMN-CARBOXYMETHIONINEA,B1JUT0.7
CXMN-CARBOXYMETHIONINEA,B,C,D2A9W0.7
CXMN-CARBOXYMETHIONINEX2FTO0.7
CXMN-CARBOXYMETHIONINEA,B1AIQ0.7
CXMN-CARBOXYMETHIONINEA1QQQ0.7
CXMN-CARBOXYMETHIONINEA,B1JTQ0.7
CXMN-CARBOXYMETHIONINEA,B1BQ10.7
CXMN-CARBOXYMETHIONINEA,C1UBP0.7
CXMN-CARBOXYMETHIONINEA3BFI0.7
CXMN-CARBOXYMETHIONINEA,B2G8X0.7
CXMN-CARBOXYMETHIONINEA,B2VF00.7
CXMN-CARBOXYMETHIONINEA,B1ZPR0.7
CXMN-CARBOXYMETHIONINEA3BGX0.7
CXMN-CARBOXYMETHIONINEA1TYS0.7
CXMN-CARBOXYMETHIONINEA2FTQ0.7
CXMN-CARBOXYMETHIONINEA1F4E0.7
CXMN-CARBOXYMETHIONINEA,C1IE70.7
TS4GLUTATHIONYLSPERMIDINE DISULFIDEA5GRT0.71
CDHD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-ISODEHYDROVALINE
A1UZW0.7
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.75
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.75
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.75
GSFL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINEA,B1YZX0.74
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.7
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A2BJS0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1QJE0.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BK00.76
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE
A1BLZ0.76
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE
A2IVJ0.73
TS22-AMINO-4-[4-(4-AMINO-4-CARBOXY-
BUTYRYLAMINO)-5,8,19,22-TETRAOXO-
1,2-DITHIA-6,9,13,18,21-PENTAAZA-
CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
A3GRT0.72
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.79
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PWG0.7
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1PW10.7
APV6-(5-AMINO-5-CARBOXY-PENTANOYLAMINO)-
3-HYDROXYMETHYL-7-OXO-4-THIA-1-
AZA-BICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
A1ODN0.72
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.7
V20N6^-[(1R)-2-[(1S)-1-CARBOXY-2-(METHYLSULFANYL)ETHOXY]-
2-OXO-1-(SULFANYLMETHYL)ETHYL]-
6-OXO-L-LYSINE
A2VAU0.7
HAG4-S-GLUTATHIONYL-5-PENTYL-TETRAHYDRO-
FURAN-2-OL
A,B1B480.73
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE
B2IVI0.73
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE
A1QJF0.74
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA4GRT0.71
GCGBIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINEA,B1BZL0.71
GTTGLUTATHIONEA,B11GS0.79
GTTGLUTATHIONEA1GSN0.79
GTTGLUTATHIONEA,C1K0B0.79
GTTGLUTATHIONEA,B,C1K0D0.79
GTTGLUTATHIONEA,B6GSY0.79
GTTGLUTATHIONEA,B19GS0.79
GTTGLUTATHIONEA1FLJ0.79
GTTGLUTATHIONEA,B3DD30.79
GTTGLUTATHIONEA2PVQ0.79
GTTGLUTATHIONEA1DNC0.79
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L
2PNO0.79
GTTGLUTATHIONEA,B,C,D3CSI0.79
GTTGLUTATHIONEA,B6GSS0.79
GTTGLUTATHIONEA2R4V0.79
GTTGLUTATHIONEA,B,C,D3FZ50.79
GTTGLUTATHIONEA,B3GSS0.79
GTTGLUTATHIONEA,B2F8F0.79
GTTGLUTATHIONEA,B1GSY0.79
GTTGLUTATHIONEA1PMT0.79
GTTGLUTATHIONEA,B1GSE0.79
GTTGLUTATHIONEA,B,C,D1F2E0.79
GTTGLUTATHIONEA1UW30.79
GTTGLUTATHIONEA,B1SS40.79
GTTGLUTATHIONEA,B5GSS0.79
GTTGLUTATHIONEA1GRX0.79
GTTGLUTATHIONEA,B7GSS0.79
GTTGLUTATHIONEA1UA50.79
GTTGLUTATHIONEA,B,C8GSS0.79
GTTGLUTATHIONEA,B1LJR0.79
GTTGLUTATHIONEA,B,C,D1OYJ0.79
GTTGLUTATHIONEA,B,C,D2E7P0.79
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.79
GTTGLUTATHIONEA,B,C,D2WEM0.79
GTTGLUTATHIONEA,B1K0A0.79
GTTGLUTATHIONEA,B3EE20.79
GTTGLUTATHIONEA3G5S0.79
GTTGLUTATHIONEA1HNL0.79
GTTGLUTATHIONEA,B,C,D1K0C0.79
GTTGLUTATHIONEA,B6GST0.79
GTTGLUTATHIONEA,B1TU70.79
GTTGLUTATHIONEA2H8A0.79
GTTGLUTATHIONEA,B,C,D2PMT0.79
GTTGLUTATHIONEA2UUH0.79
GTTGLUTATHIONEA,B1ZL90.79
GTTGLUTATHIONEA,B1QH50.79
GTTGLUTATHIONE1,21PD20.79
GTTGLUTATHIONEA,B3CSH0.79
GTTGLUTATHIONEA,C1JZR0.79
GTTGLUTATHIONEA2NTO0.79
GTTGLUTATHIONEA,B1KBN0.79
GTTGLUTATHIONEA3GRX0.79
GTTGLUTATHIONEA1B4Q0.79
GTTGLUTATHIONEA,B1PKW0.79
GTTGLUTATHIONEA1K0N0.79
GTTGLUTATHIONEA,B,C,D2DSA0.79
GTTGLUTATHIONEA,B2HNL0.79
GTTGLUTATHIONEA,B,C,D,E,F,
G,H
2ON50.79
GTTGLUTATHIONEA1GSA0.79
TS5GLUTATHIONYLSPERMIDINEA1I5G0.74
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H
2VCR0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.79
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.79
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.76
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.76
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.76
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.71
CYKN-hexanoyl-L-homocysteineA3DHC0.71