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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813219

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C,E,F,G2ABM0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5I0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y4Z0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Y5N0.71
AGA(1S)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
1-[(PENTANOYLOXY)METHYL]ETHYL OCTANOATE		A,B,C1Q160.71
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.76
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEL1RLC0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATE1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z		1IR20.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H		1RBL0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W		1UW90.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D4RUB0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G8RUC0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,D,E,H,K,
O,R,V		1UWA0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDH0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V630.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W		1UZD0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VDI0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G,I,K,
M,O		1GK80.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V6A0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1UPP0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V690.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W		1UZH0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,C,E,G1BWV0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,E,S,W1WDD0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,K,L,O,
R,V		1UPM0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,S,T,
U,V		1IR10.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V670.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEB,E,H,L1RBO0.78
CAP2-CARBOXYARABINITOL-1,5-DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2V680.78
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.81
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.76
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.76
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.76
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.77
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.75
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1FDJ0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B6ALD0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D1ZAI0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A,B,C,D2QDG0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A3ELF0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A4ALD0.85
2FP1,6-FRUCTOSE DIPHOSPHATE (LINEAR FORM)A1UMG0.85
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEB,C,D,E,F,G,H3GK00.72
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,E,F,G1M5W0.72
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B,C,D1IXN0.72
DXP1-DEOXY-D-XYLULOSE-5-PHOSPHATEA,B1Q0Q0.72
DO83-DEOXY-D-MANNO-2-OCTULOSONATE-
8-PHOSPHATE		A1X6U0.81
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.89
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.89
6PG6-PHOSPHOGLUCONIC ACIDA1PGP0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1J3R0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1QY40.93
6PG6-PHOSPHOGLUCONIC ACIDA,B2W8Z0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B3E7F0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B2W900.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1KO80.93
6PG6-PHOSPHOGLUCONIC ACIDA,B2CXR0.93
6PG6-PHOSPHOGLUCONIC ACIDA2IYO0.93
6PG6-PHOSPHOGLUCONIC ACIDA,B1DQR0.93
CKP(2R,3R,4S,5R)-2,3,4-TRIHYDROXY-
5-[(PHOSPHONATOOXY)METHYL]TETRAHYDROFURAN-
2-CARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2DCN0.82
DNOD-mannoseA3BDK0.74
CS2D-MANNONIC ACIDA,B,C,D2QJM0.81
CS2D-MANNONIC ACIDA,B3DBN0.81
5RPRIBULOSE-5-PHOSPHATEA,B1XBY0.78
5RPRIBULOSE-5-PHOSPHATEA,B1XBX0.78
5RPRIBULOSE-5-PHOSPHATEA1UJ50.78
5RPRIBULOSE-5-PHOSPHATEA,B1PVY0.78
5RPRIBULOSE-5-PHOSPHATEA2RIU0.78
5RPRIBULOSE-5-PHOSPHATEA,B1SNN0.78
5RPRIBULOSE-5-PHOSPHATEA,B1TKU0.78
5RPRIBULOSE-5-PHOSPHATEA,B3HHE0.78
5RPRIBULOSE-5-PHOSPHATEA,B1XBV0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C2ISS0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C2IYP0.78
5RPRIBULOSE-5-PHOSPHATEA,B,C,D,E2VVP0.78
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAI0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NVD0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A1XAG0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NR50.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAJ0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAL0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1DQS0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NVB0.76
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B,C1NVF0.76
AOSD-ALLOSEA,B,C,D2I570.74