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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03091833

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHS3-AMINO-4,5-DIHYDROXY-CYCLOHEX-
1-ENECARBOXYLATE
A,B,C,D1L9W0.92
DHS3-AMINO-4,5-DIHYDROXY-CYCLOHEX-
1-ENECARBOXYLATE
A,B1QFE0.92
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A3BMW0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1E3Z0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1UH30.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A3BC90.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1A470.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A2CXG0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1V3L0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1UKS0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1WPC0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1UKQ0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1UKT0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A,B1V3M0.77
ACI6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-
4-ENE-1,2,3-TRIOL
A1UA70.77
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID
A2E2T0.73
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID
A3CIW0.73
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID
A,B2E2V0.73
OTY2-AMINO-3-(4-HYDROXY-6-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID
A,B2E2U0.73
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A1W6C0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A1W6G0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B,C,D2C100.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1IQX0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B,C,D1N9E0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B2CWT0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1IVX0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1IU70.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1JRQ0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1UI80.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1QAF0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1OAC0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1DYU0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A1RKY0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B,D,E2PNC0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A1AV40.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B,C,D,E,F2OQE0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A1W7C0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A2CFK0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A2CFL0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A2CFW0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A2CG00.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B,C,D,E,F2OOV0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1KSI0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1PU40.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1WMO0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B2CFD0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B2CFG0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1WMN0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B2W0Q0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B,C,D,E,F1A2V0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B,C,D1W2Z0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A2CG10.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1US10.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1IVW0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A1AVL0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1QAK0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1TU50.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A2BT30.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1QAL0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A,B1IQY0.71
TPQ5-(2-CARBOXY-2-AMINOETHYL)-2-HYDROXY-
1,4-BENZOQUINONE
A1RJO0.71
HHA(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACIDA,B1U1X0.74
HHA(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACIDA,B3CNM0.74
HHA(2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACIDA,B1XUA0.74
S3PSHIKIMATE-3-PHOSPHATEA2O0D0.72
S3PSHIKIMATE-3-PHOSPHATEA2GGD0.72
S3PSHIKIMATE-3-PHOSPHATEA2IYY0.72
S3PSHIKIMATE-3-PHOSPHATEA2IYZ0.72
S3PSHIKIMATE-3-PHOSPHATEA2O0E0.72
S3PSHIKIMATE-3-PHOSPHATEA2QFQ0.72
S3PSHIKIMATE-3-PHOSPHATEA1G6T0.72
S3PSHIKIMATE-3-PHOSPHATEA1MI40.72
S3PSHIKIMATE-3-PHOSPHATEA3FK10.72
S3PSHIKIMATE-3-PHOSPHATEA2QFT0.72
S3PSHIKIMATE-3-PHOSPHATEA2QFU0.72
S3PSHIKIMATE-3-PHOSPHATEA2GG60.72
S3PSHIKIMATE-3-PHOSPHATEA2GGA0.72
S3PSHIKIMATE-3-PHOSPHATEA1G6S0.72
S3PSHIKIMATE-3-PHOSPHATEA3FK00.72
S3PSHIKIMATE-3-PHOSPHATEA3FJZ0.72
S3PSHIKIMATE-3-PHOSPHATEA2O0B0.72
S3PSHIKIMATE-3-PHOSPHATEA2QFS0.72
S3PSHIKIMATE-3-PHOSPHATEA,B,C,D1RF60.72
S3PSHIKIMATE-3-PHOSPHATEA3FJX0.72
DPQ(S)-2-AMINO-3-(4-HYDROXY-3-OXOCYCLOHEXA-
1,4-DIENYL)PROPANOIC ACID
A,B2YX90.71
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2IYR0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3BAF0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A3DOO0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1U8A0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZUI0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2EV90.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B,C,D2HK90.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A,B2D5C0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYQ0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AA90.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A1ZYU0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2GPT0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2G1K0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2AAY0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYX0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2DFN0.78
SKM(3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-
1-ENE-1-CARBOXYLIC ACID
A2IYS0.78
HSD(1S,2S,3R,6R)-6-amino-4-(hydroxymethyl)cyclohex-
4-ene-1,2,3-triol
A1UH30.77
GBCGABACULINEA,B,C1GBN0.77
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE
A1DTU0.75
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE
A1KCK0.75
ADH1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-
5-ENE
A2DIJ0.75