KEGG   DRUG: Numidargistat
Entry
D11792                      Drug                                   
Name
Numidargistat (USAN/INN)
Formula
C11H22BN3O5
Exact mass
287.1653
Mol weight
287.1205
Structure
Efficacy
Antineoplastic, Arginase inhibitor
Comment
Treatment of solid tumors and hematologic malignancies
Target
ARG1 [HSA:383] [KO:K01476]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Arginase
    ARG1
     D11792  Numidargistat (USAN/INN)
Other DBs
CAS: 2095732-06-0
PubChem: 405226658
ChEBI: 195556
KCF data

ATOM        20
            1   C1x C    16.1008  -16.1554
            2   N1y N    16.5239  -17.4247
            3   C1x C    17.9341  -17.4247
            4   C1y C    18.3572  -16.0849
            5   C1z C    17.2290  -15.2388
            6   C1c C    14.1265  -17.4247
            7   C5a C    15.3252  -18.1298
            8   O5a O    15.3252  -19.5400
            9   N1a N    12.9278  -18.1298
            10  C1a C    14.1265  -16.0144
            11  C1b C    19.5559  -15.3798
            12  C1b C    20.7546  -16.0849
            13  C1b C    21.9533  -15.3798
            14  Z   B    23.1520  -16.0849
            15  O1a O    24.3507  -15.3798
            16  O1a O    23.1520  -17.4952
            17  N1a N    16.2319  -14.2416
            18  C6a C    18.2261  -14.2416
            19  O6a O    19.5815  -14.6048
            20  O6a O    17.8630  -12.8863
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   2 1
            8     7   8 2
            9     6   9 1
            10    6  10 1 #Up
            11   11  12 1
            12    4  11 1 #Up
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 1
            17    5  17 1 #Down
            18    5  18 1 #Up
            19   18  19 1
            20   18  20 2

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Ontology (1)   
   KEGG BRITE (1)   
Chemical substance (2)   
   PubChem (1)   
   ChEBI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (5)   

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