Ligand name: COBALAMIN
PDB ligand accession: B12
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: LKVIQTCSMMVGFU-DWSMJLPVSA-N
SMILES: Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrapyrroles and derivatives
      • Subclass: Corrinoids

List of proteins that are targets for B12

#	DrugDomain Data	UniProt Accession	Protein name	Drug Action	Affinity data
1	O50443_B12	O50443	L-glutamate gamma-semialdehyde dehydrogenase	n/a
2	Q96EY8_B12	Q96EY8	Corrinoid adenosyltransferase MMAB	n/a
3	L7N4Z6_B12	L7N4Z6	L-glutamate gamma-semialdehyde dehydrogenase	n/a
4	Q3ACS3_B12	Q3ACS3	Carbon monoxide dehydrogenase	n/a
5	Q9XSC9_B12	Q9XSC9	Transcobalamin-2 (TC-2) (Transcobalamin	n/a
6	Q746J7_B12	Q746J7	Probable transcriptional regulator	n/a
7	P11653_B12	P11653	Methylmalonyl-CoA mutase large	n/a
8	K2MB66_B12	K2MB66	Oxidoreductase, NAD-binding/iron-sulfur cluster-binding	n/a
9	A0A0A2XCD7_B12	A0A0A2XCD7	Methionine synthase (EC	n/a
10	O33839_B12	O33839	Vitamin B12-dependent ribonucleotide	n/a
11	P20062_B12	P20062	Transcobalamin-2 (TC-2) (Transcobalamin	n/a
12	A0A0F7K4Z9_B12	A0A0F7K4Z9	deleted	n/a
13	Q59472_B12	Q59472	Diol dehydrase gamma	n/a
14	Q9ZFE5_B12	Q9ZFE5	Lysine 5,6-aminomutase beta	n/a
15	Q9ZFE6_B12	Q9ZFE6	Lysine 5,6-aminomutase alpha	n/a
16	E3GWY7_B12	E3GWY7	Tetrahydromethanopterin S-methyltransferase subunit	n/a
17	P31570_B12	P31570	Corrinoid adenosyltransferase CobA	n/a
18	Q46389_B12	Q46389	5-methyltetrahydrofolate:corrinoid/iron-sulfur protein co-methyltransferase	n/a
19	A0A829NYX9_B12	A0A829NYX9	deleted	n/a
20	Q50EJ2_B12	Q50EJ2	Corrinoid adenosyltransferase (EC	n/a
21	A0A0E8UW09_B12	A0A0E8UW09	methylmalonyl-CoA mutase (EC	n/a
22	P80078_B12	P80078	Glutamate mutase sigma	n/a
23	Q59476_B12	Q59476	Glycerol dehydrase alpha	n/a
24	P13009_B12	P13009	Methionine synthase (EC	n/a
25	Q07340_B12	Q07340	Corrinoid/iron-sulfur protein large	n/a
26	P19636_B12	P19636	Ethanolamine ammonia-lyase small	n/a
27	P80077_B12	P80077	Glutamate mutase epsilon	n/a
28	Q9Y4U1_B12	Q9Y4U1	Cyanocobalamin reductase /	n/a
29	A0A045JVI3_B12	A0A045JVI3	Corrinoid adenosyltransferase (EC	n/a
30	Q9H3L0_B12	Q9H3L0	Cobalamin trafficking protein	n/a
31	Q59471_B12	Q59471	Diol dehydrase beta	n/a
32	B1RMU6_B12	B1RMU6	deleted	n/a
33	P97030_B12	P97030	Epoxyqueuosine reductase (EC	n/a
34	P0AEJ6_B12	P0AEJ6	Ethanolamine ammonia-lyase large	n/a
35	I3VE74_B12	I3VE74	2-hydroxyisobutanoyl-CoA mutase small	n/a
36	Q1LRY0_B12	Q1LRY0	Fused isobutyryl-CoA mutase	n/a
37	Q8VPJ5_B12	Q8VPJ5	D-ornithine 4,5-aminomutase subunit	n/a
38	P22033_B12	P22033	Methylmalonyl-CoA mutase, mitochondrial	n/a
39	I3VE77_B12	I3VE77	2-hydroxyisobutanoyl-CoA mutase large	n/a
40	Q59470_B12	Q59470	Diol dehydrase alpha	n/a
41	O08505_B12	O08505	Glycerol dehydrase beta	n/a
42	P27352_B12	P27352	Cobalamin binding intrinsic	n/a
43	Q07341_B12	Q07341	Corrinoid/iron-sulfur protein small	n/a
44	Q3ACS2_B12	Q3ACS2	Iron-sulfur cluster binding	n/a
45	Q3ACS0_B12	Q3ACS0	CO dehydrogenase/acetyl-CoA synthase,	n/a
46	O24770_B12	O24770	4'-phospho-dehydrooxetanocin synthase (EC	n/a